Summary

IMPPAT Phytochemical identifier: IMPHY009410

Phytochemical name: 4-Hydroxybenzyl alcohol

Synonymous chemical names:
4-hydroxybenzyl alcohol, p-hydroxybenzyl alcohol

External chemical identifiers:
CID:125, ChEMBL:CHEMBL202132, ChEBI:67410, ZINC:ZINC000000388762, FDASRS:1A3AH1FP1B, SureChEMBL:SCHEMBL62690, MolPort-000-139-973

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Chemical structure information

SMILES:
OCc1ccc(cc1)O

InChI:
InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2

InChIKey:
BVJSUAQZOZWCKN-UHFFFAOYSA-N

DeepSMILES:
OCcccccc6))O

Functional groups:
CO, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzyl alcohols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.888

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Chemical structure download