Summary

IMPPAT Phytochemical identifier: IMPHY002005

Phytochemical name: 2-Phenylbenzaldehyde

Synonymous chemical names:
2-phenylbenzaldehyde

External chemical identifiers:
CID:121052, ChEMBL:CHEMBL124879, ZINC:ZINC000002383274, SureChEMBL:SCHEMBL96494, MolPort-001-760-079

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Chemical structure information

SMILES:
O=Cc1ccccc1c1ccccc1

InChI:
InChI=1S/C13H10O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H

InChIKey:
LCRCBXLHWTVPEQ-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6cccccc6

Functional groups:
cC=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCCCC2)CC1

Scaffold Graph level:
C1CCC(C2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Biphenyls and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.055

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Chemical structure download