4-Methoxy-1-naphthalenecarboxylic acid

C₁₂H₁₀O₃CAS 13041-62-8202.21 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₂H₁₀O₃
Molar mass: 202.21 g/mol
Exact mass: 202.0630 Da
Melting point: 230 °C
logP: 2.55Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

13041-62-8

SMILES

COc1ccc(C(=O)O)c2ccccc12

InChIKey

WRQHSQDGYYDRMX-UHFFFAOYSA-N

InChI

InChI=1S/C12H10O3/c1-15-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7H,1H3,(H,13,14)

Weigh it out

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

Names and synonyms

4 names

1-Naphthalenecarboxylic acid, 4-methoxy-
1-Naphthoic acid, 4-methoxy-
4-Methoxy-1-naphthoic acid
4-Methoxy-α-naphthoic acid

Work with 4-Methoxy-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

1,4-Naphthalenedicarboxylic acid605-70-967 % similar O-Anisic acid579-75-965 % similar 2,3,4-Trimethoxybenzoic acid573-11-561 % similar Menbutone3562-99-060 % similar 4-Acetyl-1-naphthalenecarboxylic acid131986-05-558 % similar 2,3-Difluoro-4-methoxybenzoic acid329014-60-058 % similar 1,4-Dimethoxynaphthalene10075-62-457 % similar 2,3-Dimethoxybenzoic acid1521-38-655 % similar

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

Same formula

2-Methyl-5-phenylfuran-3-carboxylic acid108124-17-0 2-Naphthoxyacetic acid120-23-0 4,4′-Dihydroxydiphenyl ether1965-09-9 6-Methoxy-2-naphthoic acid2471-70-7 Naphthoxyacetic acid2976-75-2 5-(1,3-Benzodioxol-5-yl)penta-2,4-dienal83047-59-0 Methyl 3-hydroxy-2-naphthoate883-99-8

Elsewhere

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