Summary

IMPPAT Phytochemical identifier: IMPHY009499

Phytochemical name: 4-Methoxystyrene

Synonymous chemical names:
4-methoxystyrene, 4-vinylanisole, p-methoxystyrene, para-vinylanisole

External chemical identifiers:
CID:12507, ZINC:ZINC000001675020, FDASRS:2ISH8T4A6E, SureChEMBL:SCHEMBL28436, MolPort-001-784-277

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Chemical structure information

SMILES:
COc1ccc(cc1)C=C

InChI:
InChI=1S/C9H10O/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1H2,2H3

InChIKey:
UAJRSHJHFRVGMG-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))C=C

Functional groups:
cC=C, 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 Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.119

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Chemical structure download