6,7-Dimethoxy-4-methyl-2H-1-benzopyran-2-one

C₁₂H₁₂O₄CAS 4281-40-7220.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₂O₄
Molar mass: 220.22 g/mol
Exact mass: 220.0736 Da
Melting point: 144 °C
logP: 2.12Crippen estimate
Polar surface area: 48.7 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

4281-40-7

SMILES

COc1cc2oc(=O)cc(C)c2cc1OC

InChIKey

GBYDSYPGGDKWGZ-UHFFFAOYSA-N

InChI

InChI=1S/C12H12O4/c1-7-4-12(13)16-9-6-11(15-3)10(14-2)5-8(7)9/h4-6H,1-3H3

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Names and synonyms

5 names

2H-1-Benzopyran-2-one, 6,7-dimethoxy-4-methyl-
Coumarin, 6,7-dimethoxy-4-methyl-
4-Methyl-6,7-dimethoxycoumarin
6,7-Dimethoxy-4-methylcoumarin
NSC 688797

Work with 6,7-Dimethoxy-4-methyl-2H-1-benzopyran-2-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

7-Methoxy-4-methylcoumarin2555-28-463 % similar Scoparone120-08-153 % similar 6-Hydroxy-4-methylcoumarin2373-31-150 % similar 7-Amino-4-methylcoumarin26093-31-250 % similar 4-Methylumbelliferone90-33-550 % similar 7-Ethylamino-4,6-dimethylcoumarin26078-25-149 % similar Citropten487-06-949 % similar Fraxinol486-28-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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