chempirical

5,7-Dihydroxy-4-methylcoumarin

C10H8O4CAS 2107-76-8192.17 g/mol

Open in Covalent MOL file
OOHOOH
Phenol

Properties

Molecular formula
C10H8O4
Molar mass
192.17 g/mol
Exact mass
192.0423 Da
Melting point
282–284 °C
logP
1.51Crippen estimate
Polar surface area
70.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
2107-76-8
SMILES
Cc1cc(=O)oc2cc(O)cc(O)c12
InChIKey
QNVWGEJMXOQQPM-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,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, 5,7-dihydroxy-4-methyl-
  • Coumarin, 5,7-dihydroxy-4-methyl-
  • 5,7-Dihydroxy-4-methyl-2H-1-benzopyran-2-one
  • 4-Methyl-5,7-dihydroxycoumarin
  • NSC 5302
  • 5,7-Dihydroxy-4-methyl-chromen-2-one
  • 5,7-Dihydroxy-4-methyl-2H-chromen-2-one

Work with 5,7-Dihydroxy-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-Methylumbelliferone90-33-556 % similar 6-Hydroxy-4-methylcoumarin2373-31-153 % similar Demethylbellidifolin2980-32-747 % similar Triacetic acid lactone675-10-546 % similar Apigenin520-36-544 % similar Acacetin480-44-444 % similar Chrysin480-40-043 % similar Myricetin529-44-243 % similar

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

Same formula

Noreugenin1013-69-0 5-Methoxybenzofuran-2-carboxylic acid10242-08-7 4-(2-Carboxyethenyl)benzoic acid19675-63-9 7,8-Dihydroxy-4-methylcoumarin2107-77-9 3′,4′-Methylenedioxycinnamic acid2373-80-0 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid4743-58-2 4-Methylesculetin529-84-0 Furoin552-86-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook