Summary

IMPPAT Phytochemical identifier: IMPHY017230

Phytochemical name: 2-(1-Methoxypropyl)phenol

Synonymous chemical names:
2-(1-methoxypropyl)phenol

External chemical identifiers:
CID:23617872, SureChEMBL:SCHEMBL2150976

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Chemical structure information

SMILES:
CCC(c1ccccc1O)OC

InChI:
InChI=1S/C10H14O2/c1-3-10(12-2)8-6-4-5-7-9(8)11/h4-7,10-11H,3H2,1-2H3

InChIKey:
HNLALQHBUWGCOG-UHFFFAOYSA-N

DeepSMILES:
CCCcccccc6O)))))))OC

Functional groups:
COC, 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-Likeness score: 0.326

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Chemical structure download