Bisphenol A
PubChem CID: 6623
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| Compound Synonyms | Bisphenol A, 80-05-7, 2,2-Bis(4-hydroxyphenyl)propane, 4,4'-Isopropylidenediphenol, Diphenylolpropane, 4,4'-Bisphenol A, 2,2-Bis(p-hydroxyphenyl)propane, Bisphenol, Diano, Bisphenol-A, 4,4'-(propane-2,2-diyl)diphenol, Biphenol A, Parabis A, DIAN, p,p'-Isopropylidenebisphenol, Rikabanol, p,p'-Bisphenol A, Bisferol A, 2,2-Di(4-phenylol)propane, Ipognox 88, Pluracol 245, p,p'-Dihydroxydiphenylpropane, BPA, Phenol, 4,4'-(1-methylethylidene)bis-, 4,4'-Dihydroxydiphenylpropane, Ucar bisphenol A, 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol, Dimethylmethylene-p,p'-diphenol, p,p'-Isopropylidenediphenol, Bis(4-hydroxyphenyl)propane, Ucar bisphenol HP, 4,4'-(1-Methylethylidene)bisphenol, 2,2-Di(4-hydroxyphenyl)propane, 4,4'-Isopropylidene diphenol, 2,2-Bis(hydroxyphenyl)propane, p,p'-Dihydroxydiphenyldimethylmethane, 4,4'-Isopropylidenebisphenol, Bis(4-hydroxyphenyl)dimethylmethane, Isopropylidenebis(4-hydroxybenzene), Bis(4-hydroxyphenyl) dimethylmethane, 4,4'-Dihydroxydiphenyldimethylmethane, 2,2-Bis-4'-hydroxyfenylpropan, 4,4'-Dihydroxy-2,2-diphenylpropane, Phenol, 4,4'-isopropylidenedi-, 2,2-(4,4'-Dihydroxydiphenyl)propane, 4,4'-propane-2,2-diyldiphenol, Phenol, (1-methylethylidene)bis-, 4,4' Isopropylidinediphenol, NCI-C50635, Dimethylbis(p-hydroxyphenyl)methane, 2,2-Bis(4'-hydroxyphenyl)propane, beta-di-p-hydroxyphenylpropane, Dimethyl bis(p-hydroxyphenyl)methane, Bisphenol A., 4,4'-Dihydroxydiphenyl-2,2-propane, Bis(p-hydroxyphenyl)propane, CCRIS 95, Phenol, 4,4'-dimethylmethylenedi-, 2,2-Bis (4-hydroxyphenol) propane, Propane, 2,2-bis(p-hydroxyphenyl)-, 4,4'-Dimethylmethylenediphenol, HSDB 513, 4-[1-(4-hydroxyphenyl)-1-methylethyl]phenol, beta,beta'-Bis(p-hydroxyphenyl)propane, DTXSID7020182, 4,4-ISOPROPYLIDENEDIPHENOL, NSC 1767, EINECS 201-245-8, 4,4[-Isopropylidenediphenol, MFCD00002366, 4,4'-Dihydroxdiphenylpropane, UNII-MLT3645I99, BRN 1107700, 25766-59-0, 4,4'-Isopropylidenebis[phenol], Bisphenol A (BPA), CHEBI:33216, 4,4'-(1-Methylethane-1,1-diyl)diphenol, AI3-04009, 2,2-bis[4-Hydroxyphenyl]propane, MLT3645I99, 2, 2-Bis(4-hydroxyphenyl)propane, 2,2-bis(4-hydroxyphenyl) propane, NSC-1767, 2,2-(4,4-Dihydroxydiphenyl)propane, beta,beta-di-(p-hydroxyphenyl)propane, Noname, DTXCID30182, BPA 157, EC 201-245-8, di-2,2-(4-Hydroxyphenyl)propane, 2,2'-Bis(4-hydroxyphenyl)propane, 4,4'-ISOPROPYLIDENEDIPHENOL (BISPHENOL A), 4-06-00-06717 (Beilstein Handbook Reference), 4,2-propane, 2,2-di-(4'-Hydroxyphenyl)-propane, 4,2-diphenylpropane, 2,2-Bis(4,4'-hydroxyphenyl)propane, NCGC00090952-07, .beta.,.beta.'-Bis(p-hydroxyphenyl)propane, Phenol,4'-isopropylidenedi-, BISPHENOL A (USP-RS), BISPHENOL A [USP-RS], Phenol,4'-dimethylmethylenedi-, 2,4'-Dihydroxydiphenyl)propane, Bisferol A [Czech], WLN: QR DX1&1&R DQ, Propane,2-bis(p-hydroxyphenyl)-, .beta.-Di-(p-hydroxyphenyl)propane, Phenol,4'-(1-methylethylidene)bis-, 4,4'-ISOPROPYLIDENEBIS(PHENOL), CAS-80-05-7, 102438-62-0, bisphenol A, sodium salt, Bisphenol A-d14 100 Amicrog/mL in Acetonitrile, bisphenol A, disodium salt, 2,2-Bis-4'-hydroxyfenylpropan [Czech], bis-phenol-a, bis-phenol A, Bis Phenol A, Millad HBPA, 2OH, 4,4'-ISOPROPYLIDENE-DIPHENOL, bis(4-hyd roxyphenyl) dimethylmethane, 4,4'-Isopropylidenediphenol C12-15 alcohol phosphite, 4,4'-bisphenol-A, Bisphenol A, 97%, 2e2r, 2p7g, Bisphenol A (Standard), 4, 4'-Bisphenol A, Bisphenol A (4,4), BISPHENOL A [MI], Bisphenol A, >=99%, 4,4'-isopropylidendiphenol, BISPHENOL A [HSDB], Bisphenol a(ring 13c12), HIDORIN F 285, BIDD:PXR0120, Oprea1_215541, p, p'-Isopropylidenediphenol, SCHEMBL15062, bis(4-hydroxyphenyl)-propane, MLS001055461, BIDD:ER0208, 4,4'-Isopropylidenedi-Phenol, p, p'-Dihydroxydiphenylpropane, (1-methylethylidene)bis-Phenol, 2, 2-Di(4-phenylol)propane, 4,4'-Isopropylidenediphenol B, CHEMBL418971, GTPL7865, 4, 4'-Dihydroxydiphenylpropane, 2, 2-Bis(hydroxyphenyl)propane, .beta.-di-p-hydroxyphenylpropane, 4,4'-Dimethylmethylenedi-Phenol, 4,4'-Isopropylidendiphenol dust, BDBM29608, beta-Di-(p-hydroxyphenyl)propane, BP_01 (BPA), BPA 154, MSK8701, NSC1767, 2,2-bis(p-hydroxyphenyl)-propane, HMS2866B07, HMS3749E11, KUC105370N, 2,2-di(p-hydroxy-phenyl-)propane, 4,4'-Isopropylidenediphenol, 8CI, 2,2-bis-(p-hydroxyphenyl)-propane, CS-B1737, NKA26165, NSC17959, SDA73958, 2,2-bis-(4-hydroxy phenyl)propane, 2,2-bis-(4-hydroxyphenyl) propane, 2,2-bis-(4-hydroxyphenyl)-propane, Tox21_202992, Tox21_400088, 4,4?-(1-Methylethylidene)bisphenol, BBL010647, dimethyl bis(p-hydroxyphenyl)methane, HY-18260R, KSC-7-199, NSC-17959, s6007, STK801675, 2,2-bis-(4- hydroxyphenyl)-propane, p, p'-Dihydroxydiphenyldimethylmethane, 4,4'-(1-methylethylidene)bis-phenol, 4,4'-dihydroxy diphenyl-2,2-propane, AKOS000119022, 1ST8701, 4, 4'-Dihydroxydiphenyl-2,2-propane, 4, 4'-Dihydroxydiphenyldimethylmethane, CCG-214370, DB06973, FB18828, beta, beta'-Bis(p-hydroxyphenyl)propane, UPCMLD0ENAT5883875:001, NCGC00090952-01, NCGC00090952-02, NCGC00090952-03, NCGC00090952-04, NCGC00090952-05, NCGC00090952-06, NCGC00090952-08, NCGC00090952-09, NCGC00260537-01, HY-18260, MSK8701-1000, SMR000315090, VS-02603, 4,4'-(1-Methylethylidene)bisphenol, 9CI, Bisphenol A 100 microg/mL in Acetonitrile, 1,1'-(1-Methylethylidene)bisphenylol, 9CI, B0494, NS00008865, 872 - Bisphenols in 3% aqueous acetic acid, EN300-19430, 1ST8701-1000, Bisphenol A 2,2-Bis(4-hydroxyphenyl) propane, D77313, 4,4'-ISOPROPYLIDENEDIPHENOL, BISPHENOL A, A839823, AE-848/01247026, Bisphenol A Solution in Acetonitrile, 1000?g/mL, Bisphenol A Solution in Acetonitrile, 1000mug/mL, Q271980, SR-01000596928, SR-01000596928-1, 4,4 inverted exclamation marka-Isopropylidenediphenol, BRD-K41494493-001-04-7, BRD-K41494493-001-13-8, Bisphenol A, certified reference material, TraceCERT(R), F1284-0895, Z104473824, Bisphenol A, United States Pharmacopeia (USP) Reference Standard, 4,4'-(1-Methylethylidene)bisphenol, 2,2-Bis(4-hydroxyphenyl)propane, 201-245-8, InChI=1/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 209.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P15207, P16473, P15428, Q99714, P08684, P19793, P03372, P10275, P10828, P04150, O95149, Q12809, P37231, P08659, P23975, Q01959, P12530, P50406, P31645, Q16236, O94925, P43220, P51449, Q9NUW8, Q92731, P01116, P01112, Q15382, P62508, P54803, O55017, Q01815, n.a., P04191, P11507, P0DTD1, Q03181, P19838 |
| Iupac Name | 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Target Id | NPT210, NPT151, NPT149, NPT109, NPT228, NPT246, NPT108, NPT294, NPT295, NPT153, NPT248, NPT3033 |
| Xlogp | 3.3 |
| Superclass | Benzenoids |
| Subclass | Diphenylmethanes |
| Molecular Formula | C15H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IISBACLAFKSPIT-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.277 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 3.617 |
| Synonyms | 2, 2-Bis(4-hydroxyphenyl)propane, 2,2-Bis(4'-hydroxyphenyl)propane, 2,2-Bis(4-hydroxyphenyl)propane, 2,2-Bis(p-hydroxyphenyl)propane, 2,2-Di(4-hydroxyphenyl)propane, 2,2-Di(4-phenylol)propane, 4,4'-(1-Methylethane-1,1-diyl)diphenol, 4,4'-(1-Methylethylidene)bisphenol, 4,4'-(Propane-2,2-diyl)diphenol, 4,4'-Bisphenol a, 4,4'-Isopropylidenediphenol, Bisphenol-a, BPA, Dianin's compound, (1-Methylethylidene)bis-phenol, 1,1'-(1-Methylethylidene)bisphenylol, 9ci, 2, 2-Bis(hydroxyphenyl)propane, 2, 2-Di(4-phenylol)propane, 2,2'-Bis(4-hydroxyphenyl)propane, 2,2-(4,4'-Dihydroxydiphenyl)propane, 2,2-(4,4-Dihydroxydiphenyl)propane, 2,2-Bis (4-hydroxyphenol) propane, 2,2-Bis(4,4'-hydroxyphenyl)propane, 2,2-Bis(hydroxyphenyl)propane, 2,2-Bis(p-hydroxyphenyl)-propane, 2,2-Bis-4'-hydroxyfenylpropan, 2,2-Bis[4-hydroxyphenyl]propane, 2,2-Di-(4'-hydroxyphenyl)-propane, 4, 4'-Bisphenol a, 4, 4'-Dihydroxydiphenyl-2,2-propane, 4, 4'-Dihydroxydiphenyldimethylmethane, 4, 4'-Dihydroxydiphenylpropane, 4,4' Isopropylidinediphenol, 4,4'-(1-Methylethylidene)bis-phenol, 4,4'-(1-Methylethylidene)bisphenol, 9ci, 4,4'-Dihydroxdiphenylpropane, 4,4'-Dihydroxy-2,2-diphenylpropane, 4,4'-Dihydroxydiphenyl-2,2-propane, 4,4'-Dihydroxydiphenyldimethylmethane, 4,4'-Dihydroxydiphenylpropane, 4,4'-Dimethylmethylenedi-phenol, 4,4'-Dimethylmethylenediphenol, 4,4'-Isopropylidene diphenol, 4,4'-ISOPROPYLIDENE-diphenol, 4,4'-Isopropylidenebisphenol, 4,4'-Isopropylidenebis[phenol], 4,4'-Isopropylidenedi-phenol, 4,4'-ISOPROPYLIDENEDIPHENOL (bisphenol a), 4,4'-Isopropylidenediphenol b, 4,4'-Isopropylidenediphenol, 8ci, 4,4'-Propane-2,2-diyldiphenol, 4,4-Isopropylidenediphenol, 4,4[-Isopropylidenediphenol, 4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenol, beta, Beta'-bis(p-hydroxyphenyl)propane, beta,Beta'-bis(p-hydroxyphenyl)propane, beta,beta-Di-(p-hydroxyphenyl)propane, beta-Di-(p-hydroxyphenyl)propane, beta-Di-p-hydroxyphenylpropane, Biphenol a, Bis(4-hyd roxyphenyl) dimethylmethane, Bis(4-hydroxyphenyl) dimethylmethane, Bis(4-hydroxyphenyl) propane, Bis(4-hydroxyphenyl)dimethylmethane, Bis(4-hydroxyphenyl)propane, Bis(p-hydroxyphenyl)propane, Bisferol a, Bisphenol, Bisphenol a (bpa), Bisphenol a, disodium salt, Bisphenol a, sodium salt, Bisphenol a., Di-2,2-(4-hydroxyphenyl)propane, Dian, Diano, Dimethyl bis(p-hydroxyphenyl)methane, Dimethylbis(p-hydroxyphenyl)methane, Dimethylmethylene-p,p'-diphenol, Diphenylolpropane, Hydrogenated bisphenol a, Ipognox 88, Isopropylidenebis(4-hydroxybenzene), Millad hbpa, Noname, p, P'-dihydroxydiphenyldimethylmethane, p, P'-dihydroxydiphenylpropane, p, P'-isopropylidenediphenol, p,P'-bisphenol a, p,P'-dihydroxydiphenyldimethylmethane, p,P'-dihydroxydiphenylpropane, p,P'-isopropylidenebisphenol, p,P'-isopropylidenediphenol, Parabis, Parabis a, Poly(bisphenol a carbonate), Rikabanol, Ucar bisphenol a, Ucar bisphenol HP |
| Compound Name | Bisphenol A |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 228.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -3.7373571411764708 |
| Inchi | InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 |
| Smiles | CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Bisphenols |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all