chempirical

Isobutylparaben

C11H14O3CAS 4247-02-3194.23 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
logP
2.21Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
4247-02-3
SMILES
CC(C)COC(=O)c1ccc(O)cc1
InChIKey
XPJVKCRENWUEJH-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Benzoic acid, 4-hydroxy-, 2-methylpropyl ester
  • Benzoic acid, p-hydroxy-, isobutyl ester
  • Isobutyl p-hydroxybenzoate
  • Isobutyl 4-hydroxybenzoate
  • 2-Methylpropyl p-hydroxybenzoate
  • iso-Butyl p-hydroxybenzoate
  • p-Hydroxybenzoic acid isobutyl ester
  • 2-Methylpropyl 4-hydroxybenzoate

Work with Isobutylparaben

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

Isobutyl benzoate120-50-368 % similar Isobutyl P-aminobenzoate94-14-467 % similar Propylparaben94-13-364 % similar Ethylparaben120-47-863 % similar Butylparaben94-26-861 % similar Isobutyl gallate3856-05-159 % similar Pentyl P-hydroxybenzoate6521-29-559 % similar Isopropylparaben4191-73-558 % similar

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

Same formula

Zingerone122-48-5 Ethyl p-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4 Ethyl 4-ethoxybenzoate23676-09-7 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-3

Elsewhere

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