Summary

IMPPAT Phytochemical identifier: IMPHY007136

Phytochemical name: 3-(4-Hydroxyphenyl)-1-propanol

Synonymous chemical names:
3-(4-hydroxyphenyl)-1-propanol

External chemical identifiers:
CID:82452, ZINC:ZINC000002242702, FDASRS:1DJM7P148S, SureChEMBL:SCHEMBL274830, MolPort-003-927-527

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Chemical structure information

SMILES:
OCCCc1ccc(cc1)O

InChI:
InChI=1S/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H2

InChIKey:
NJCVPQRHRKYSAZ-UHFFFAOYSA-N

DeepSMILES:
OCCCcccccc6))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: Phenols

ClassyFire Subclass: 1-hydroxy-2-unsubstituted benzenoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.825

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Chemical structure download