chempirical

3,5-Dimethylphenylacetic acid

C10H12O2CAS 42288-46-0164.20 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
logP
1.93Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
42288-46-0
SMILES
CC1=CC(=CC(=C1)CC(=O)O)C
InChIKey
HDNBKTWQBJJYPD-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-7-3-8(2)5-9(4-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)

Weigh it out

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

Names and synonyms

1 names
  • 2-(3,5-Dimethylphenyl)acetic acid

Work with 3,5-Dimethylphenylacetic 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-Methylphenyl)acetic acid621-36-368 % similar p-Tolylacetic acid622-47-966 % similar 2,4,6-Trimethylbenzeneacetic acid4408-60-061 % similar 3,5-Dihydroxyphenylacetic acid4670-09-157 % similar 1,4-Benzenediacetic acid7325-46-456 % similar 3,5-Difluorophenylacetic acid105184-38-155 % similar 3,5-Dichlorobenzeneacetic acid51719-65-455 % similar (3,5-Dimethoxyphenyl)acetic acid4670-10-455 % similar

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

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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