Bis(2-hydroxy-3-tert-butyl-5-methylphenyl)methane
PubChem CID: 8398
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| Compound Synonyms | 119-47-1, Antioxidant 2246, 2,2'-Methylenebis(4-methyl-6-tert-butylphenol), 2,2'-Methylenebis(6-tert-butyl-p-cresol), 6,6'-Methylenebis(2-(tert-butyl)-4-methylphenol), 2,2'-Methylenebis(6-tert-butyl-4-methylphenol), Antioxidant BKF, Bisalkofen BP, Antioxidant 1, Anti Ox, Chemanox 21, Cyanox 2246, Catolin 14, Advastab 405, Nocrac NS 6, Plastanox 2246, Sumilizer MDP, Lederle 2246, Calco 2246, Vulkanox bkf, Bisaklofen BP, AO 1 (Antioxidant), Antage W 400, CAO 5, Synox 5lt, Antioxidant NG-2246, Alterungsschutzmittel BKF, CAO 14, methylene di-t-butylcresol, Methylenebis, Plastanox 2246 Antioxidant, GERI-BP002-A, Antioxidant OMB, Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-methyl-, AO 2246, NG 2246, OXY CHEK 114, 2,2'-Methylene-bis(6-tert-butyl-4-methylphenol), Lowinox 22M46, DTXSID4020870, 6,6'-Di-tert-butyl-2,2'-methylenedi-p-cresol, Methylene bis methyl butyl phenol, 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol, KVM0X4X57B, BIS(2-HYDROXY-3-TERT-BUTYL-5-METHYLPHENYL)METHANE, Nocrack NS 6, 2,2'-Bis-6-terc.butyl-p-kresylmethan, A-22-46, Di(2-hydroxy-5-methyl-3-tert-butylphenyl)methane, 2,2-methylenebis(6-tert-butyl-p-cresol), Methane, 2,2'-bis(6-t-butyl-p-cresyl)-, p-Cresol, 2,2'-methylenebis(6-tert-butyl-, Methane, 2,2'-bis(6-tert-butyl-p-cresyl)-, NSC-7781, Phenol, 2,2'-methylenebis(6-(1,1-dimethylethyl)-4-methyl-, Bis(6-hydroxy-3-methyl-5-tert-butylphenyl)methane, 2,2'-Methylenebis(6-(1,1-dimethylethyl)-p-cresol), DTXCID20870, 2,2'-Methylenebis[6-tert-butyl-p-cresol], AO 1, CHEMBL460648, BKF, 2,2'-Bis(4-methyl-6-tert-butylphenol)methane, 2,2-methylenebis(6-tert-butyl-4-methylphenol), 2,2'-Methylenebis[4-Methyl-6-tert-butylphenol], 2,2'-Methylenebis(6-tert-butyl-4-methyl-phenol), 3,3'-Di-tert-butyl-2,2'-dihydroxy-5,5'-dimethyldiphenylmethane, p-Cresol, 2,2'-methylenebis[6-tert-butyl-, 2,2'-Methylenebis(4-methyl-6-t-butylphenol), 2,2'-methylene-bis(4-methyl-6-t-butylphenol), 2,2'-METHYLENEBIS-(6-TERT-BUTYL-P-CRESOL), METHYLENEBIS(6-TERT-BUTYL-P-CRESOL), 2,2'-, C23H32O2, MBMBP, 2,2'-METHYLENEBIS(6-TERT.BUTYL-4-METHYL-PHENOL), 2,2'-methanediylbis[6-(1,1-dimethylethyl)-4-methylphenol], 2,2'-METHYLENEBIS(6-(1,1-DIMETHYLETHYL)-4-METHYL)PHENOL, 6,6'-DI-TERT-BUTYL-4,4'-DIMETHYL-2,2'-METHYLENEDIPHENOL, 2-tert-Butyl-6-(2-hydroxy-3-tert-butyl-5-methyl-benzyl)-4-methyl-phenol, CAS-119-47-1, AO 1 (VAN), CCRIS 4919, HSDB 5585, NSC 7781, EINECS 204-327-1, UNII-KVM0X4X57B, BRN 2062676, AI3-18027, 2,2'-methylenebis(6-tert-butyl-4-cresol), 2,2-Methylenebis(4-methyl-6-t-butylphenol), 2,2'-Bis-6-terc.butyl-p-kresylmethan [Czech], Agidol 2, A 22-46, MFCD00043641, Ionol 46, Ralox 46, Antioxidant NG2246, p-Cresol, 2,2'-methylenebis(6-tert- butyl-, EC 204-327-1, Oprea1_122036, SCHEMBL34162, 2,2'-methylene-bis-(4-methyl-6-tert-butylphenol), 4-06-00-06801 (Beilstein Handbook Reference), BIDD:ER0324, ANTIOXIDANT NG 2246, 2,1-dimethylethyl)-p-cresol], CAO-14, 2,2'Bis6terc.butylpkresylmethan, CHEBI:172336, Methane, 2,2'bis(6tbutylpcresyl), Tox21_201529, Tox21_302923, 2,2'Methylenebis(6tertbutylpcresol), BDBM50522651, STL377901, Methane, 2,2'bis(6tertbutylpcresyl), 2,2 inverted exclamation marka-Methylenebis(6-tert-butyl-4-methylphenol), 2,2Methylenebis(4methyl6tbutylphenol), AKOS000447157, pCresol, 2,2'methylenebis(6tertbutyl, CCG-207916, CCG-208597, FM62633, s12392, 2,2'-methylenebis(6-t-butyl-p-cresol), NCGC00164172-01, NCGC00164172-02, NCGC00256347-01, NCGC00259079-01, p-Cresol,2'-methylenebis[6-tert-butyl-, AS-13205, Di(2hydroxy5methyl3tertbutylphenyl)methane, Methane,2'-bis(6-tert-butyl-p-cresyl)-, METHYLENE DI-T-BUTYLCRESOL [INCI], 2,2'Methylenebis(4methyl6tertbutylphenol), 2,2'Methylenebis(6-tert-4-methylphenol), 2,2'Methylenebis(6tertbutyl4methylphenol), Bis(6hydroxy3methyl5tertbutylphenyl)methane, CS-0081317, M0217, NS00010737, p-Cresol, 2,2'-methylenebis*6-tert-butyl-, 2,2'-methyl enebis(4-methyl-6-t-butylphenol), 2,2'-Methylene-bis(6-tert-butyl)-para-cresol, 2,2'-Methylenebis(6-t-butyl-4-methylphenol), 2,2'Methylenebis(6(1,1dimethylethyl)pcresol), A 2246, MLS-0146298.0001, 2,2'-Methylene-bis-(4-methyl-6-t-butylphenol), 6,6'-methylenebis(2-tert-butyl-4-methylphenol), 2,2'-methanediylbis(6-tert-butyl-4-methylphenol), 2,2'-methylene-bis(4-methyl-6-tert-butylphenol), 2,2'-methylene-bis(4-methyl-6-tert.butylphenol), 2,2'-methylenebis (6-tert-butyl-4-methylphenol), bis(2-hydroxy-5-methyl-3-tert-butylphenyl)methane, Bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methane, 2,2'- methylene bis(4-methyl-6-tert. butylphenol), 2,2'-methylene-bis(4-methyl-6-tertiarybutylphenol), 2,2'-methylene-bis-(4-methyl-6-tert.butylphenol), 2,2'-methylene-bis-(6-tert-butyl-4-methylphenol), Phenol, 2,2'methylenebis(6(1,1dimethylethyl)4methyl, Q16830225, 2,2'-Methylenebis 6-(1,1-dimethylethyl)-4-methyl-phenol, Phenol,2'-methylenebis[6-(1,1-dimethylethyl)-4-methyl-, WLN: 1X1 & 1 & R BQ C3R BQ CX1 & 1 & 1, P-CRESOL, 2,2'-METHYLENEBIS(6-TERT- BUTYL- [HSDB], Phenol, 2,2'-methylenebis*6-(1,1-dimethylethyl)-4-methyl-, Bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methane, 3,3'-Di-tert-butyl-2,2'-dihydroxy-5,5'-dimethyldiphenylmethane, 2,2'-Methylenebis(6 -tert-butyl-4-methylphenol) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CC2CCCCC2)CC1 |
| Deep Smiles | CcccCcccC)ccc6O))CC)C)C))))))))ccc6)CC)C)C)))O |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(CC2CCCCC2)CC1 |
| Classyfire Subclass | Diphenylmethanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P19793, P10275, P10828, Q03181, P03372, P37231, P11473, Q96RI1, P04150, P19838, P04637, Q16236, Q9R1A7, Q07869, O42275, P81908, P11021, P04792, P05412 |
| Iupac Name | 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT888 |
| Xlogp | 7.2 |
| Superclass | Benzenoids |
| Subclass | Diphenylmethanes |
| Gsk 4 400 Rule | False |
| Molecular Formula | C23H32O2 |
| Scaffold Graph Node Bond Level | c1ccc(Cc2ccccc2)cc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KGRVJHAUYBGFFP-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.4782608695652174 |
| Logs | -5.67 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.283 |
| Synonyms | 2,2'-Methylenebis(4-methyl-6-tert-butylphenol), 2,2'-Methylenebis(6-tert-butyl-4-cresol), GERI-BP002-a, MBMBP, Bis(2-hydroxy-3-tert-butyl-5-methylphenyl)methane, antioxidant bkf |
| Esol Class | Moderately soluble |
| Functional Groups | cO |
| Compound Name | Bis(2-hydroxy-3-tert-butyl-5-methylphenyl)methane |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 340.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 340.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -5.9798434 |
| Inchi | InChI=1S/C23H32O2/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8/h9-12,24-25H,13H2,1-8H3 |
| Smiles | CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Diphenylmethanes |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Fallopia Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rungia Pectinata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1197800