Summary

IMPPAT Phytochemical identifier: IMPHY016804

Phytochemical name: 1-Methoxy-4-methylbenzene

Synonymous chemical names:
p-methylanisole

External chemical identifiers:
CID:7731, ChEMBL:CHEMBL154155, ChEBI:89728, ZINC:ZINC000001693359, FDASRS:10FAI0OR9W, SureChEMBL:SCHEMBL12464, MolPort-001-783-105

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Chemical structure information

SMILES:
COc1ccc(cc1)C

InChI:
InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3

InChIKey:
CHLICZRVGGXEOD-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))C

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: Phenol ethers

ClassyFire Subclass: Anisoles

NP-Likeness score: -0.645

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Chemical structure download