chempirical

6-Hydroxy-4-methylcoumarin

C10H8O3CAS 2373-31-1176.17 g/mol

Open in Covalent MOL file
OOHO
Phenol

Properties

Molecular formula
C10H8O3
Molar mass
176.17 g/mol
Exact mass
176.0473 Da
Melting point
243 °C
logP
1.81Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
2373-31-1
SMILES
Cc1cc(=O)oc2ccc(O)cc12
InChIKey
IRUHWRSITUYICV-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O3/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5,11H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 2H-1-Benzopyran-2-one, 6-hydroxy-4-methyl-
  • Coumarin, 6-hydroxy-4-methyl-
  • 6-Hydroxy-4-methyl-2H-1-benzopyran-2-one
  • 4-Methyl-6-hydroxycoumarin
  • 6-Hydroxy-4-methylcumarin
  • 6-Hydroxy-4-methyl-2H-chromen-2-one
  • 6-Hydroxy-4-methylchromen-2-one

Work with 6-Hydroxy-4-methylcoumarin

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-Methylesculetin529-84-061 % similar 5,7-Dihydroxy-4-methylcoumarin2107-76-853 % similar 7-Amino-4-methylcoumarin26093-31-250 % similar 6,7-Dimethoxy-4-methyl-2H-1-benzopyran-2-one4281-40-750 % similar Umbelliferone93-35-649 % similar 7,8-Dihydroxy-4-methylcoumarin2107-77-948 % similar 7-Methoxy-4-methylcoumarin2555-28-448 % similar Damc87-01-448 % 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 3-(4-Formylphenyl)-2-propenoic acid23359-08-2 3-Oxo-1-indancarboxylic acid29427-69-8 Herniarin531-59-9 4-Oxo-4-phenyl-2-butenoic acid583-06-2 4-Methylumbelliferone90-33-5

Elsewhere

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