Summary

IMPPAT Phytochemical identifier: IMPHY016142

Phytochemical name: Benzene, 1-methoxy-4-(1-methyl-2-propenyl)-

Synonymous chemical names:
1-methoxy-4-(1-methyl-2-propenyl)-benzene

External chemical identifiers:
CID:590285, SureChEMBL:SCHEMBL18253186

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Chemical structure information

SMILES:
COc1ccc(cc1)C(C=C)C

InChI:
InChI=1S/C11H14O/c1-4-9(2)10-5-7-11(12-3)8-6-10/h4-9H,1H2,2-3H3

InChIKey:
FAYVYPCDXDCHCL-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))CC=C))C

Functional groups:
C=CC, 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: 0.344

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Chemical structure download