4-Ethoxycoumarin

C₁₁H₁₀O₃CAS 35817-27-7190.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₀O₃
Molar mass: 190.20 g/mol
Exact mass: 190.0630 Da
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

35817-27-7

SMILES

CCOC1=CC(=O)OC2=CC=CC=C21

InChIKey

FLZDKBHAUILYAZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-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

4-Methoxycourmarin20280-81-365 % similar 4-Methylcoumarin607-71-653 % similar 7-Ethoxy-4-methylcoumarin87-05-852 % similar 4-Hydroxycoumarin1076-38-649 % similar 1,2-Diethoxybenzene2050-46-644 % similar 1-Ethoxynaphthalene5328-01-844 % similar 2-Ethoxy-1-naphthalenecarboxaldehyde19523-57-042 % similar 2-Ethyl-4H-chromen-4-one14736-30-242 % 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 7-Ethoxycoumarin31005-02-4 Heliotropyl acetone3160-37-0 2-Benzofurancarboxylic acid ethyl ester3199-61-9 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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