3,5-Dimethylphenylacetic acid

C₁₀H₁₂O₂CAS 42288-46-0164.20 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed90.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

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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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