2-Ethoxy-1-naphthalenecarboxylic acid

C₁₃H₁₂O₃CAS 2224-00-2216.24 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₃H₁₂O₃
Molar mass: 216.24 g/mol
Exact mass: 216.0786 Da
Melting point: 147 °C
logP: 2.94Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

2224-00-2

SMILES

CCOc1ccc2ccccc2c1C(=O)O

InChIKey

MYFBSSDLYGWAHH-UHFFFAOYSA-N

InChI

InChI=1S/C13H12O3/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3,(H,14,15)

Weigh it out

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

Names and synonyms

4 names

1-Naphthalenecarboxylic acid, 2-ethoxy-
1-Naphthoic acid, 2-ethoxy-
2-Ethoxy-1-naphthoic acid
2-Ethoxynaphthalene-1-carboxylic acid

Work with 2-Ethoxy-1-naphthalenecarboxylic acid

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

2-Ethoxy-1-naphthalenecarbonyl chloride55150-29-367 % similar 2-Ethoxybenzoic acid134-11-256 % similar 2-Hydroxy-1-naphthoic acid2283-08-154 % similar 2-Ethoxy-1-naphthalenecarboxaldehyde19523-57-052 % similar 1-Ethoxynaphthalene5328-01-851 % similar 9-Anthracenecarboxylic acid723-62-651 % similar 3,4-Diethoxybenzoic acid5409-31-451 % similar 3,4,5-Triethoxybenzoic acid6970-19-045 % similar

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

Same formula

Methyl 4-Hydroxy-8-methyl-2-naphthoate16059-74-8 6-Methoxy-2-naphthylacetic acid23981-47-7 7-Methoxy-1-naphthaleneacetic acid6836-22-2

Elsewhere

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