3-(2,5-Dimethoxyphenyl)propionic acid

C₁₁H₁₄O₄CAS 10538-49-5210.23 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₁H₁₄O₄
Molar mass: 210.23 g/mol
Exact mass: 210.0892 Da
Melting point: 65.5 °C
logP: 1.72Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

10538-49-5

SMILES

COc1ccc(OC)c(CCC(=O)O)c1

InChIKey

JENQUCZZZGYHRW-UHFFFAOYSA-N

InChI

InChI=1S/C11H14O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h4-5,7H,3,6H2,1-2H3,(H,12,13)

Weigh it out

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

Names and synonyms

6 names

Benzenepropanoic acid, 2,5-dimethoxy-
Hydrocinnamic acid, 2,5-dimethoxy-
2,5-Dimethoxybenzenepropanoic acid
2,5-Dimethoxyhydrocinnamic acid
2,5-Dimethoxydihydrocinnamic acid
3-(2,5-Dimethoxyphenyl)propanoic acid

Work with 3-(2,5-Dimethoxyphenyl)propionic 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

2,5-Dimethoxyphenylacetic acid1758-25-474 % similar 3-(2-Methoxyphenyl)propionic acid6342-77-467 % similar 3-(4-Methoxyphenyl)propionic acid1929-29-963 % similar 2-(2,4-Dimethoxyphenyl)acetic acid6496-89-561 % similar 3-(3-Methoxyphenyl)propionic acid10516-71-960 % similar 3,5-Dimethoxyphenylpropionic acid717-94-257 % similar 4-Methoxybenzenebutanoic acid4521-28-256 % similar 2C-H3600-86-055 % similar

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

Same formula

3-(2,3-Dimethoxyphenyl)propanoic acid10538-48-4 3',4',5'-Trimethoxyacetophenone1136-86-3 4-Ethoxy-3-methoxybenzeneacetic acid120-13-8 2',3',4'-Trimethoxyacetophenone13909-73-4 3-(3,4-Dimethoxyphenyl)propionic acid2107-70-2 2,3,4-Trimethoxy-6-methylbenzaldehyde22383-85-3 3,4-Diethoxybenzoic acid5409-31-4 2,4-Dihydroxy-6-propyl-benzoic acid methyl ester55382-52-0

Elsewhere

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