Summary

IMPPAT Phytochemical identifier: IMPHY008673

Phytochemical name: 3-Phenyl-1-propanol

Synonymous chemical names:
3-phenylpropan-1-ol, benzenepropanol, hydrocinnamyl alcohol, phenylpropanol,3, phenylpropyl-alcohol

External chemical identifiers:
CID:31234, ChEMBL:CHEMBL1606391, ChEBI:88817, ZINC:ZINC000001747839, FDASRS:U04IC2765C, SureChEMBL:SCHEMBL1922, MolPort-001-781-725

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Chemical structure information

SMILES:
OCCCc1ccccc1

InChI:
InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

InChIKey:
VAJVDSVGBWFCLW-UHFFFAOYSA-N

DeepSMILES:
OCCCcccccc6

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: Benzene and substituted derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.338

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Chemical structure download