Methyl P-tert-butylphenylacetate

C₁₃H₁₈O₂CAS 3549-23-3206.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₈O₂
Molar mass: 206.28 g/mol
Exact mass: 206.1307 Da
logP: 2.70Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

3549-23-3

SMILES

COC(=O)Cc1ccc(C(C)(C)C)cc1

InChIKey

HXVTYMWVMVKVTF-UHFFFAOYSA-N

InChI

InChI=1S/C13H18O2/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h5-8H,9H2,1-4H3

Weigh it out

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

Names and synonyms

5 names

Benzeneacetic acid, 4-(1,1-dimethylethyl)-, methyl ester
Acetic acid, (p-tert-butylphenyl)-, methyl ester
Methyl 4-tert-butylbenzeneacetate
Methyl 4-tert-butylphenylacetate
(4-tert-Butylphenyl)acetic acid methyl ester

Work with Methyl P-tert-butylphenylacetate

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

Same formula

Isoamyl phenylacetate102-19-2 Phenylethyl isovalerate140-26-1 1-(4-Hydroxyphenyl)-1-heptanone14392-72-4 Ibuprofen15687-27-1 3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-6-yl propionate17511-60-3 4-Hexylbenzoic acid21643-38-9 Phenylethyl 2-methylbutyrate24817-51-4 P-tert-Butylphenyl glycidyl ether3101-60-8

Elsewhere

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