7-Methoxy-1-naphthaleneacetic acid

C₁₃H₁₂O₃CAS 6836-22-2216.24 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: 155–155.5 °C
logP: 2.48Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

6836-22-2

SMILES

COc1ccc2cccc(CC(=O)O)c2c1

InChIKey

GJPYHKXILUFWKV-UHFFFAOYSA-N

InChI

InChI=1S/C13H12O3/c1-16-11-6-5-9-3-2-4-10(7-13(14)15)12(9)8-11/h2-6,8H,7H2,1H3,(H,14,15)

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

Names and synonyms

3 names

1-Naphthaleneacetic acid, 7-methoxy-
(7-Methoxy-1-naphthyl)acetic acid
2-(7-Methoxynaphthalen-1-yl)acetic acid

Work with 7-Methoxy-1-naphthaleneacetic 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

5-Methoxyindoleacetic acid3471-31-661 % similar 2,5-Dimethoxyphenylacetic acid1758-25-460 % similar 2-Carboxy-4-methoxybenzeneacetic acid52962-25-160 % similar 1-Naphthaleneacetic acid86-87-360 % similar (3-Methoxyphenyl)acetic acid1798-09-058 % similar 2-Bromo-4-methoxybenzeneacetic acid66916-99-258 % similar Agomelatine138112-76-256 % similar (7-Methoxynaphthalen-1-yl)acetonitrile138113-08-354 % similar

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

Same formula

Methyl 4-Hydroxy-8-methyl-2-naphthoate16059-74-8 2-Ethoxy-1-naphthalenecarboxylic acid2224-00-2 6-Methoxy-2-naphthylacetic acid23981-47-7

Elsewhere

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