Summary

IMPPAT Phytochemical identifier: IMPHY015272

Phytochemical name: 2-Methyl-1-phenyl-2-propen-1-ol

Synonymous chemical names:
2-methyl-1-phenyl-2-propen-1-ol

External chemical identifiers:
CID:138211, SureChEMBL:SCHEMBL2249346

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Chemical structure information

SMILES:
OC(c1ccccc1)C(=C)C

InChI:
InChI=1S/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-7,10-11H,1H2,2H3

InChIKey:
ZGYBYYJGIKPBFD-UHFFFAOYSA-N

DeepSMILES:
OCcccccc6))))))C=C)C

Functional groups:
C=C(C)C, 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: 0.57

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Chemical structure download