Summary

IMPPAT Phytochemical identifier: IMPHY017565

Phytochemical name: 4-Phenyl-2-butanol

Synonymous chemical names:
4-phenyl-2-butanol

External chemical identifiers:
CID:61302, FDASRS:SZ2IE5UDQR, SureChEMBL:SCHEMBL109557, MolPort-001-793-327

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Chemical structure information

SMILES:
CC(CCc1ccccc1)O

InChI:
InChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3

InChIKey:
GDWRKZLROIFUML-UHFFFAOYSA-N

DeepSMILES:
CCCCcccccc6))))))))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

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.598

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Chemical structure download