7-Methoxy-4,8-dimethylchromen-2-one

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Basic information

CAS: 14002-96-1
Standard SMILES: COc1ccc2c(C)cc(=O)oc2c1C
InChIKey: OMNGMJMBWPLZLA-UHFFFAOYSA-N
Molecular formula: C12H12O3
Average molar mass: 204.22 g/mol
Monoisotopic mass: 204.07864424

Overview

7-methoxy-4,8-dimethyl-1-benzopyran-2-one is a member of coumarins.

Names & identifiers

Preferred name: 7-Methoxy-4,8-dimethylchromen-2-one
IUPAC: 7-methoxy-4,8-dimethylchromen-2-one

Names & synonyms

7-methoxy-4,8-dimethylchromen-2-one14002-96-17-methoxy-4,8-dimethyl-1-benzopyran-2-one2H-1-Benzopyran-2-one, 7-methoxy-4,8-dimethyl-4,8-dimethyl-7-methoxycoumarinCBMicro_045245MLS000109942SCHEMBL9463878CHEMBL1339192DTXSID80358177CHEBI:116585OMNGMJMBWPLZLA-UHFFFAOYSA-N

Show more names

HMS2323F21SMR000105875BIM-0045186.P0017-methoxy-4,8-dimethyl-2H-chromen-2-one7-Methoxy-4,8-dimethyl-2H-1-benzopyran-2-oneSR-01000227461SR-01000227461-1Q27199480

Database identifiers

CAS: 14002-96-1
PubChem CID: 879545
DTXSID: DTXSID80358177
ChEMBL: CHEMBL1339192
ChEBI: CHEBI:116585

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 295

Related reactions

2 records

New reaction record

HRID 317292As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1587051As productuspto-grants-1993_06

Compound notes

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