chempirical

2-Propoxybenzoic acid

C10H12O3CAS 2100-31-4180.20 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
99–100 °C
Boiling point
215 °C (at 20 Torr)
logP
2.17Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
2100-31-4
SMILES
CCCOc1ccccc1C(=O)O
InChIKey
OXOWWPXTTOCKKU-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

4 names
  • Benzoic acid, o-propoxy-
  • Benzoic acid, 2-propoxy-
  • o-Propoxybenzoic acid
  • Salicylic acid propyl ether

Work with 2-Propoxybenzoic 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-Ethoxybenzoic acid134-11-276 % similar 2-(Benzyloxy)benzoic acid14389-86-761 % similar 2-(Carboxymethoxy)benzoic acid635-53-061 % similar O-Anisic acid579-75-958 % similar 1,4-Benzodioxan-5-carboxylic acid4442-53-958 % similar Monobutyl phthalate131-70-455 % similar Aspirin50-78-254 % similar 4-Propoxybenzoic acid5438-19-754 % 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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