7-Ethoxycoumarin

C₁₁H₁₀O₃CAS 31005-02-4190.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₀O₃
Molar mass: 190.20 g/mol
Exact mass: 190.0630 Da
Melting point: 89 °C
logP: 2.19Crippen estimate
Polar surface area: 39.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

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

31005-02-4

SMILES

CCOc1ccc2ccc(=O)oc2c1

InChIKey

LIFAQMGORKPVDH-UHFFFAOYSA-N

InChI

InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3

Weigh it out

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Names and synonyms

4 names

2H-1-Benzopyran-2-one, 7-ethoxy-
Coumarin, 7-ethoxy-
7-Ethoxy-2H-1-benzopyran-2-one
Ethylumbelliferone

Work with 7-Ethoxycoumarin

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

Herniarin531-59-964 % similar 7-Ethoxy-4-methylcoumarin87-05-861 % similar 3-Cyano-7-ethoxycoumarin117620-77-656 % similar Auraptene495-02-352 % similar 7-Methylcoumarin2445-83-251 % similar 2-Ethoxynaphthalene93-18-549 % similar Scoparone120-08-148 % similar Umbelliferone93-35-647 % similar

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

Same formula

(2E)-4-(4-Methylphenyl)-4-oxobut-2-enoic acid20972-36-5 7-Methoxy-4-methylcoumarin2555-28-4 Heliotropyl acetone3160-37-0 2-Benzofurancarboxylic acid ethyl ester3199-61-9 4-Ethoxycoumarin35817-27-7 1-(7-Methoxy-2-benzofuranyl)ethanone43071-52-9 6-Methoxy-4-methylcoumarin6295-35-8 Methyl 3-(4-formylphenyl)-2-propenoate7560-50-1

Elsewhere

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