Summary

IMPPAT Phytochemical identifier: IMPHY016625

Phytochemical name: Diphenylmethanol

Synonymous chemical names:
diphenylmethanol

External chemical identifiers:
CID:7037, ChEMBL:CHEMBL2386190, ChEBI:156087, ZINC:ZINC000001664716, FDASRS:S4HQ1H8OWD, SureChEMBL:SCHEMBL41571, MolPort-001-768-709

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Chemical structure information

SMILES:
OC(c1ccccc1)c1ccccc1

InChI:
InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H

InChIKey:
QILSFLSDHQAZET-UHFFFAOYSA-N

DeepSMILES:
OCcccccc6))))))cccccc6

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(Cc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Diphenylmethanes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.109

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Chemical structure download