4-tert-Butylcinnamic acid

C₁₃H₁₆O₂CAS 1208-65-7204.27 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₁₃H₁₆O₂
Molar mass: 204.27 g/mol
Exact mass: 204.1150 Da
Melting point: 195–197 °C
logP: 3.08Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

1208-65-7

SMILES

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

InChIKey

QFSPZKLJQZSLQU-UHFFFAOYSA-N

InChI

InChI=1S/C13H16O2/c1-13(2,3)11-7-4-10(5-8-11)6-9-12(14)15/h4-9H,1-3H3,(H,14,15)

Weigh it out

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

Names and synonyms

5 names

2-Propenoic acid, 3-[4-(1,1-dimethylethyl)phenyl]-
Cinnamic acid, p-tert-butyl-
3-[4-(1,1-Dimethylethyl)phenyl]-2-propenoic acid
p-tert-Butylcinnamic acid
3-(4-tert-Butylphenyl)acrylic acid

Work with 4-tert-Butylcinnamic 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

P-Phenylenediacrylic acid16323-43-669 % similar (2E)-3-[4-(Trifluoromethyl)phenyl]-2-propenoic acid16642-92-566 % similar 3-[4-(Trifluoromethyl)phenyl]-2-propenoic acid2062-26-266 % similar 4-Methylcinnamic acid1866-39-362 % similar 3-(4-Formylphenyl)-2-propenoic acid23359-08-259 % similar P-Coumaric acid501-98-459 % similar P-Coumaric acid7400-08-059 % similar Cinnamic acid140-10-358 % similar

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

Same formula

Cinnamyl isobutyrate103-59-3 Cinnamyl butyrate103-61-7 (1S,2R)-2-(Benzyloxymethyl)-1-hydroxy-3-cyclopentene110567-21-0 1-Phenylcyclohexanecarboxylic acid1135-67-7 Isobutyl cinnamate122-67-8 Ethenyl 4-(1,1-dimethylethyl)benzoate15484-80-7 2-(3-Methoxyphenyl)cyclohexanone15547-89-4 (1R,2S)-2-[(Phenylmethoxy)methyl]-3-cyclopenten-1-ol188399-48-6

Elsewhere

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