Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004882

Phytochemical name: 4-Hydroxybenzyl

Synonymous chemical names:
p-hydroxybenzyl

External chemical identifiers:
CID:CID_145156, SureChEMBL:SCHEMBL26575

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Chemical structure information

SMILES:
[CH2]c1ccc(cc1)O

InChI:
InChI=1S/C7H7O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H2

InChIKey:
ZVEWFTICTSQBDM-UHFFFAOYSA-N

DeepSMILES:
[CH2]cccccc6))O

Functional groups:
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: Phenols

ClassyFire Subclass: 1-hydroxy-2-unsubstituted benzenoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.704

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Chemical structure download