Summary

IMPPAT Phytochemical identifier: IMPHY006715

Phytochemical name: 1-Phenyl-1-propanol

Synonymous chemical names:
alpha-phenylpropyl-alcohol, phenylpropanol

External chemical identifiers:
CID:7147, ChEMBL:CHEMBL1397202, ChEBI:31995, FDASRS:0F897O3O4M, SureChEMBL:SCHEMBL56673, MolPort-001-759-790

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Chemical structure information

SMILES:
CCC(c1ccccc1)O

InChI:
InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3

InChIKey:
DYUQAZSOFZSPHD-UHFFFAOYSA-N

DeepSMILES:
CCCcccccc6))))))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: Benzene and substituted derivatives

ClassyFire Subclass: Phenylpropanes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.22

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Chemical structure download