chempirical

4-Methylumbelliferyl heptanoate

C17H20O4CAS 18319-92-1288.34 g/mol

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Ester

Properties

Molecular formula
C17H20O4
Molar mass
288.34 g/mol
Exact mass
288.1362 Da
logP
3.98Crippen estimate
Polar surface area
56.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Identifiers

CAS number
18319-92-1
SMILES
CCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1
InChIKey
FFNBFZWIBOIPIV-UHFFFAOYSA-N
InChI
InChI=1S/C17H20O4/c1-3-4-5-6-7-16(18)20-13-8-9-14-12(2)10-17(19)21-15(14)11-13/h8-11H,3-7H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Heptanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
  • Heptanoic acid, ester with 7-hydroxy-4-methylcoumarin
  • Coumarin, 7-hydroxy-4-methyl-, heptanoate
  • Heptanoyl 4-methylumbelliferone
  • 4-Methylumbelliferone heptanoate

Work with 4-Methylumbelliferyl heptanoate

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-Methylumbelliferyl oleate18323-58-590 % similar 4-Methylumbelliferyl acetate2747-05-960 % similar 7-Ethoxy-4-methylcoumarin87-05-856 % similar 7-Methoxy-4-methylcoumarin2555-28-453 % similar 4-Methylphenyl octanoate59558-23-553 % similar β-Naphthyl laurate6343-73-352 % similar 2-Naphthyl myristate7262-80-852 % similar O,O-Diethyl O-(4-methyl-2-oxo-2H-1-benzopyran-7-yl) phosphorothioate299-45-651 % similar

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

Elsewhere

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