Summary

IMPPAT Phytochemical identifier: IMPHY016353

Phytochemical name: 3-(Benzyloxy)phenol

Synonymous chemical names:
3-benzyloxyphenol

External chemical identifiers:
CID:138048, ZINC:ZINC000000330715, SureChEMBL:SCHEMBL384725, MolPort-001-792-557

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Chemical structure information

SMILES:
Oc1cccc(c1)OCc1ccccc1

InChI:
InChI=1S/C13H12O2/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9,14H,10H2

InChIKey:
FOTVZLOJAIEAOY-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)OCcccccc6

Functional groups:
cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(COc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(COC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenol ethers

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.166

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Chemical structure download