Summary

IMPPAT Phytochemical identifier: IMPHY016962

Phytochemical name: 1-(4-Methylphenyl)ethanol

Synonymous chemical names:
α,4-dimethylbenzyl alcohol

External chemical identifiers:
CID:10817, FDASRS:MUV6GV10SL, SureChEMBL:SCHEMBL427794, MolPort-001-789-215

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Chemical structure information

SMILES:
Cc1ccc(cc1)C(O)C

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

InChIKey:
JESIHYIJKKUWIS-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6))CO)C

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: Toluenes

NP-Likeness score: -0.204

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Chemical structure download