chempirical

3-(2-Methoxyphenyl)propionic acid

C10H12O3CAS 6342-77-4180.20 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acidEther

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Melting point
90 °C
logP
1.71Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
6342-77-4
SMILES
COc1ccccc1CCC(=O)O
InChIKey
XSZSNLOPIWWFHS-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

11 names
  • Benzenepropanoic acid, 2-methoxy-
  • Hydrocinnamic acid, o-methoxy-
  • 2-Methoxybenzenepropanoic acid
  • 2-Methoxydihydrocinnamic acid
  • o-Methoxybenzenepropionic acid
  • o-Methoxydihydrocinnamic acid
  • Guaiacylpropionic acid
  • 3-(o-Methoxyphenyl)propionic acid
  • 3-(2-Methoxyphenyl)propanoic acid
  • NSC 46646
  • 3-[2-(Methyloxy)phenyl]propanoic acid

Work with 3-(2-Methoxyphenyl)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

3-(2,3-Dimethoxyphenyl)propanoic acid10538-48-476 % similar 2-Methoxyphenylacetic acid93-25-471 % similar 3-(2,5-Dimethoxyphenyl)propionic acid10538-49-567 % similar 2-(2-Methoxyphenoxy)acetic acid1878-85-958 % similar 3-(3,4-Dimethoxyphenyl)propionic acid2107-70-257 % similar Melilotic acid495-78-357 % similar 2-(2-Methoxyphenyl)ethanol7417-18-756 % similar 3-(4-Methoxyphenyl)propionic acid1929-29-955 % similar

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

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2′,5′-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

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