2-Methoxy-5-methyl-β-phenylbenzenepropanoic acid

C₁₇H₁₈O₃CAS 109089-77-2270.33 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₇H₁₈O₃
Molar mass: 270.33 g/mol
Exact mass: 270.1256 Da
Melting point: 136–137 °C
logP: 3.61Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5

Identifiers

CAS number

109089-77-2

SMILES

COc1ccc(C)cc1C(CC(=O)O)c1ccccc1

InChIKey

KSLPLDLDQANKOD-UHFFFAOYSA-N

InChI

InChI=1S/C17H18O3/c1-12-8-9-16(20-2)15(10-12)14(11-17(18)19)13-6-4-3-5-7-13/h3-10,14H,11H2,1-2H3,(H,18,19)

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Names and synonyms

2 names

Benzenepropanoic acid, 2-methoxy-5-methyl-β-phenyl-
Hydrocinnamic acid, 2-methoxy-5-methyl-β-phenyl-

Work with 2-Methoxy-5-methyl-β-phenylbenzenepropanoic 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-Methoxy-5-methyl-γ-phenylbenzenepropanol124937-73-163 % similar 3,4-Dihydro-6-methyl-4-phenyl-2H-1-benzopyran-2-one40546-94-961 % similar 2-Methoxy-5-methyl-n,n-bis(1-methylethyl)-gamma-phenylbenzenepropanamine fumarate124935-89-357 % similar Diphenylpropionic acid606-83-753 % similar 3-Phenylbutyric acid4593-90-245 % similar 3-Amino-3-(3-methoxyphenyl)propionic acid68208-19-544 % similar 3-Phenylglutaric acid4165-96-243 % similar 2-(2,4-Dimethylphenoxy)acetic acid13334-49-142 % similar

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

Same formula

Resveratrol trimethyl ether22255-22-7

Elsewhere

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