1,3-Bis(4-cyanophenyl)propane
PubChem CID: 70872
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1156-51-0, 2,2-Bis-(4-cyanatophenyl)propane, 2,2-Bis(4-cyanatophenyl)propane, 4,4'-(Propane-2,2-diyl)bis(cyanatobenzene), Bisphenol A cyanate ester, 1,3-Bis(4-cyanophenyl)propane, [4-[2-(4-cyanatophenyl)propan-2-yl]phenyl] cyanate, NSC646242, EINECS 214-590-4, MFCD00037423, DTXSID60893753, 2,2-bis(4-cyanatophenyl)propane (BCP), 4-{2-[4-(cyanooxy)phenyl]propan-2-yl}phenyl cyanate, 4,4'-Isopropylidenediphenyl dicyanate, 1-cyanato-4-[2-(4-cyanatophenyl)propan-2-yl]benzene, 4,4'-Isopropylidenebis(cyanatobenzene), Cyanic acid, (1-methylethylidene)di-4,1-phenylene ester, NCIMech_000638, SCHEMBL25961, CHEMBL2005240, [4-[1-(4-cyanatophenyl)-1-methyl-ethyl]phenyl] cyanate, DTXCID801323778, 2,2-bis(4-cyanato phenyl)propane, 2,2-bis-(4-cyanatophenyl)-propane, 2,2-Bis[4'-cyanooxyphenyl]propane, CCG-35977, propane, 2,2-bis(4-cyanatophenyl)-, AKOS015855205, CS-W012294, FB33798, NSC-646242, AS-15432, NCI60_015972, SY050544, 2,2-Propanediyldi-4,1-phenylene dicyanate, B1251, NS00045472, I10051, A817989, 4-(1-(4-(Cyanooxy)phenyl)-1-methylethyl)phenyl cyanate, cyanic acid [4-[2-(4-cyanatophenyl)propan-2-yl]phenyl] ester, Cyanic acid, C,C'-((1-methylethylidene)di-4,1-phenylene) ester, 2,2-Propanediyldi-4,1-phenylenedicyanate, 4-(1-(4-(Cyanooxy)phenyl)-1-methylethyl)phenylcyanate, 310-196-2 |
|---|---|
| Topological Polar Surface Area | 66.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | AHZMUXQJTGRNHT-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 1,3-Bis(4-cyanophenyl)propane, 2,2-Bis-(4-cyanatophenyl)propane, 4-(1-(4-(Cyanooxy)phenyl)-1-methylethyl)phenyl cyanate, AmbsicPOD_02/0239, Citflavanone, Cyanic acid, (1-methylethylidene)di-4,1-phenylene ester, 4-{2-[4-(cyanooxy)phenyl]propan-2-yl}phenyl cyanic acid |
| Heavy Atom Count | 21.0 |
| Compound Name | 1,3-Bis(4-cyanophenyl)propane |
| Kingdom | Organic compounds |
| Description | Citflavanone is a member of the class of compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. Citflavanone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Citflavanone can be found in sweet orange, which makes citflavanone a potential biomarker for the consumption of this food product. |
| Exact Mass | 278.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.106 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 386.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 278.3 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [4-[2-(4-cyanatophenyl)propan-2-yl]phenyl] cyanate |
| Total Atom Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Benzene and substituted derivatives |
| Inchi | InChI=1S/C17H14N2O2/c1-17(2,13-3-7-15(8-4-13)20-11-18)14-5-9-16(10-6-14)21-12-19/h3-10H,1-2H3 |
| Smiles | CC(C)(C1=CC=C(C=C1)OC#N)C2=CC=C(C=C2)OC#N |
| Xlogp | 4.1 |
| Superclass | Benzenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Diphenylmethanes |
| Taxonomy Direct Parent | Diphenylmethanes |
| Molecular Formula | C17H14N2O2 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all