Summary

IMPPAT Phytochemical identifier: IMPHY016123

Phytochemical name: 1-(4-Methoxyphenyl)propan-2-ol

Synonymous chemical names:
1-(4-methoxyphenyl)-2-propanol

External chemical identifiers:
CID:169145, SureChEMBL:SCHEMBL2428966, MolPort-004-290-891

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Chemical structure information

SMILES:
COc1ccc(cc1)CC(O)C

InChI:
InChI=1S/C10H14O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8,11H,7H2,1-2H3

InChIKey:
TXIWFQCAXKAOBZ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))CCO)C

Functional groups:
CO, cOC

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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: 0.393

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Chemical structure download