Summary

IMPPAT Phytochemical identifier: IMPHY003533

Phytochemical name: 2-Methylanisole

Synonymous chemical names:
2-methyl-anisol, 2-methylanisole, o-methylanisole

External chemical identifiers:
CID:33637, ChEBI:141702, ZINC:ZINC000001693358, FDASRS:09G73SL17K, SureChEMBL:SCHEMBL82813, MolPort-001-770-912

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Chemical structure information

SMILES:
COc1ccccc1C

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

InChIKey:
DTFKRVXLBCAIOZ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6C

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 Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.712

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Chemical structure download