Summary

IMPPAT Phytochemical identifier: IMPHY004078

Phytochemical name: 6-methoxy-2H-chromene

Synonymous chemical names:
6-methoxy-2h-1-benzopyran

External chemical identifiers:
CID:29052, ZINC:ZINC000002017332, SureChEMBL:SCHEMBL5229806, MolPort-019-871-169

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Chemical structure information

SMILES:
COc1ccc2c(c1)C=CCO2

InChI:
InChI=1S/C10H10O2/c1-11-9-4-5-10-8(7-9)3-2-6-12-10/h2-5,7H,6H2,1H3

InChIKey:
LMCDFCKWRNBXBB-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)C=CCO6

Functional groups:
cC=CC, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2ccccc2OC1

Scaffold Graph/Node level:
C1CCC2OCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP-Likeness score: 1.005

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Chemical structure download