chempirical

3-(2,3-Dimethoxyphenyl)propanoic acid

C11H14O4CAS 10538-48-4210.23 g/mol

Open in Covalent MOL file
OOOOH
Carboxylic acidEther

Properties

Molecular formula
C11H14O4
Molar mass
210.23 g/mol
Exact mass
210.0892 Da
logP
1.72Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Identifiers

CAS number
10538-48-4
SMILES
COC1=CC=CC(=C1OC)CCC(=O)O
InChIKey
QPHAUUNQQLRYCJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-5H,6-7H2,1-2H3,(H,12,13)

Weigh it out

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

Work with 3-(2,3-Dimethoxyphenyl)propanoic 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-Methoxyphenyl)propionic acid6342-77-476 % similar 3-(3,4,5-Trimethoxyphenyl)propionic acid25173-72-259 % similar 2-Methoxyphenylacetic acid93-25-457 % similar 2,3-Dimethoxyphenethylamine3213-29-455 % similar 2,3,4-Trimethoxybenzeneacetic acid22480-91-755 % similar 2,3-Dimethoxybenzyl alcohol5653-67-854 % similar 3-(3-Methoxyphenyl)propionic acid10516-71-952 % similar 3-(4-Methoxyphenyl)propionic acid1929-29-951 % similar

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

Same formula

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 3-(3,4-Dimethoxyphenyl)propionic acid2107-70-2 2,3,4-Trimethoxy-6-methylbenzaldehyde22383-85-3 3,4-Diethoxybenzoic acid5409-31-4 Dimethyl 5-norbornene-2,3-dicarboxylate5826-73-3

Elsewhere

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