chempirical

4-Methoxycourmarin

C10H8O3CAS 20280-81-3176.17 g/mol

Open in Covalent MOL file
OOO
Ether

Properties

Molecular formula
C10H8O3
Molar mass
176.17 g/mol
Exact mass
176.0473 Da
logP
1.80Crippen estimate
Polar surface area
39.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
20280-81-3
SMILES
COC1=CC(=O)OC2=CC=CC=C21
InChIKey
MLCMXDYMSAZNPC-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O3/c1-12-9-6-10(11)13-8-5-3-2-4-7(8)9/h2-6H,1H3

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Names and synonyms

1 names
  • 4-Methoxycoumarin

Work with 4-Methoxycourmarin

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

4-Ethoxycoumarin35817-27-765 % similar Citropten487-06-958 % similar 4-Methylcoumarin607-71-657 % similar 4-Hydroxycoumarin1076-38-653 % similar 6-Methoxy-4-methylcoumarin6295-35-853 % similar 6,7-Dimethoxy-4-methyl-2H-1-benzopyran-2-one4281-40-751 % similar Scoparone120-08-150 % similar 3′,4′-Dimethoxyflavone4143-62-850 % similar

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

Same formula

Phenylsuccinic anhydride1131-15-3 2-Formylcinnamic acid130036-17-8 4-Hydroxy-6-methylcoumarin13252-83-0 2H-Chromene-3-carboxylic acid22649-28-1 3-(4-Formylphenyl)-2-propenoic acid23359-08-2 6-Hydroxy-4-methylcoumarin2373-31-1 3-Methyl-1-benzofuran-2-carboxylic acid24673-56-1 3-Oxo-1-indancarboxylic acid29427-69-8

Elsewhere

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