3-(3,4-Dimethoxyphenyl)propionic acid

C₁₁H₁₄O₄CAS 2107-70-2210.23 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: 98–99 °C
logP: 1.72Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Hazards

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2107-70-2

SMILES

COc1ccc(CCC(=O)O)cc1OC

InChIKey

LHHKQWQTBCTDQM-UHFFFAOYSA-N

InChI

InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)

Weigh it out

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

Names and synonyms

10 names

Benzenepropanoic acid, 3,4-dimethoxy-
3,4-Dimethoxyhydrocinnamic acid
3,4-Dimethoxyphenylpropionic acid
3-(3,4-Dimethoxyphenyl)propanoic acid
3,4-Dimethoxybenzenepropionic acid
3,4-Dimethoxydihydrocinnamic acid
NSC 76043
Hydrocinnamic acid, 3,4-dimethoxy-
3,4-Dimethoxybenzenepropanoic acid
β-(3,4-Dimethoxyphenyl)propionic acid

Work with 3-(3,4-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

Dihydroferulic acid1135-23-576 % similar (3,4-Dimethoxyphenyl)acetic acid93-40-372 % similar 3-(3,4,5-Trimethoxyphenyl)propionic acid25173-72-270 % similar 3-(4-Methoxyphenyl)propionic acid1929-29-967 % similar 1,3-Benzodioxole-5-propanoic acid2815-95-466 % similar 3-(3-Methoxyphenyl)propionic acid10516-71-963 % similar 3,5-Dimethoxyphenylpropionic acid717-94-261 % similar 1,4-Benzenedipropanoic acid4251-21-259 % similar

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

Same formula

3-(2,3-Dimethoxyphenyl)propanoic acid10538-48-4 3-(2,5-Dimethoxyphenyl)propionic acid10538-49-5 3',4',5'-Trimethoxyacetophenone1136-86-3 4-Ethoxy-3-methoxybenzeneacetic acid120-13-8 2',3',4'-Trimethoxyacetophenone13909-73-4 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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