4-(2-Hydroxyethyl)-α,α-dimethylbenzeneacetic acid

C₁₂H₁₆O₃CAS 552301-45-8208.26 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₁₂H₁₆O₃
Molar mass: 208.26 g/mol
Exact mass: 208.1099 Da
logP: 1.58Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Identifiers

CAS number

552301-45-8

SMILES

CC(C)(C(=O)O)c1ccc(CCO)cc1

InChIKey

CHSAZBMOBSHGFV-UHFFFAOYSA-N

InChI

InChI=1S/C12H16O3/c1-12(2,11(14)15)10-5-3-9(4-6-10)7-8-13/h3-6,13H,7-8H2,1-2H3,(H,14,15)

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

Names and synonyms

2 names

Benzeneacetic acid, 4-(2-hydroxyethyl)-α,α-dimethyl-
2-(4-(2-Hydroxyethyl)phenyl)-2-Methylpropanoic acid

Work with 4-(2-Hydroxyethyl)-α,α-dimethylbenzeneacetic 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-(4-Ethylphenyl)-2-methylpropanoic acid1247119-83-069 % similar 2-Methyl-2-phenylpropanoic acid826-55-161 % similar 2-(4-Bromophenyl)-2-methylpropanoic acid32454-35-658 % similar 4-Chloro-α,α-dimethylbenzeneacetic acid6258-30-658 % similar 4-(1,1-Dimethylethyl)benzeneethanol5406-86-053 % similar 4-[1-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]benzeneethanol361382-26-550 % similar 4-Ethyl-3-iodo-α,α-dimethylbenzeneacetic acid1256584-73-247 % similar 4-(1,1-Dimethylethyl)benzeneacetic acid32857-63-943 % similar

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

Same formula

Phenoxyethyl isobutyrate103-60-6 Ethyl (S)-2-hydroxy-4-phenylbutyrate125639-64-7 4-(Pentyloxy)benzoic acid15872-41-0 2-[4-(1,1-Dimethylethyl)phenoxy]acetic acid1798-04-5 Amyl salicylate2050-08-0 Asarone2883-98-9 4-Butoxybenzeneacetic acid4547-57-3 Elemicin487-11-6

Elsewhere

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