Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID016370
Phytochemical name: Diphenylmethanol
Synonymous chemical names:diphenylmethanol
External chemical identifiers:CID:CID_7037, ChEMBL:CHEMBL2386190, ChEBI:CHEBI:156087, ZINC:ZINC000001664716, FDASRS:S4HQ1H8OWD, SureChEMBL:SCHEMBL41571, MolPort-001-768-709
Chemical structure information
SMILES:
OC(c1ccccc1)c1ccccc1InChI:
InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14HInChIKey:
QILSFLSDHQAZET-UHFFFAOYSA-NDeepSMILES:
OCcccccc6))))))cccccc6Functional groups:
COLink to spectral information:
MSBNK-Athens_Univ-AU506910, MSBNK-Athens_Univ-AU506908, MSBNK-Athens_Univ-AU506909, MSBNK-Athens_Univ-AU506906, MSBNK-Athens_Univ-AU506907
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc(Cc2ccccc2)cc1Scaffold Graph/Node level:
C1CCC(CC2CCCCC2)CC1Scaffold Graph level:
C1CCC(CC2CCCCC2)CC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: BenzenoidsClassyFire Class: Benzene and substituted derivatives
ClassyFire Subclass: Diphenylmethanes
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP-Likeness score: 0.109
Chemical structure download
