Summary

IMPPAT Phytochemical identifier: IMPHY013753

Phytochemical name: 1-Methoxy-4-propylbenzene

Synonymous chemical names:
1-methoxy-4-propyl benzene, p-propyl anisole, p-propylanisole

External chemical identifiers:
CID:7702, ChEMBL:CHEMBL3185876, ChEBI:88473, ZINC:ZINC000001670361, FDASRS:932XJ1O77X, SureChEMBL:SCHEMBL91277, MolPort-002-501-623

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Chemical structure information

SMILES:
CCCc1ccc(cc1)OC

InChI:
InChI=1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3

InChIKey:
KBHWKXNXTURZCD-UHFFFAOYSA-N

DeepSMILES:
CCCcccccc6))OC

Functional groups:
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-Likeness score: -0.293

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Chemical structure download