4-(4-N-Propylphenyl)benzoic acid

C₁₆H₁₆O₂CAS 88038-94-2240.30 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₆H₁₆O₂
Molar mass: 240.30 g/mol
Exact mass: 240.1150 Da
logP: 4.00Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

88038-94-2

SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

InChIKey

HCPBURTZSXRGBN-UHFFFAOYSA-N

InChI

InChI=1S/C16H16O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h4-11H,2-3H2,1H3,(H,17,18)

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Names and synonyms

1 names

4-(4-Propylphenyl)benzoic Acid

Work with 4-(4-N-Propylphenyl)benzoic 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

4-Propylbenzoic acid2438-05-389 % similar 4'-Butyl-[1,1'-biphenyl]-4-carboxylic acid59662-46-381 % similar 4′-Pentyl[1,1′-biphenyl]-4-carboxylic acid59662-47-479 % similar 4′-Heptylbiphenyl-4-carboxylic acid58573-94-776 % similar 4-(4′-Hexylphenyl)benzoic acid59662-48-576 % similar 4-Butylbenzoic acid20651-71-272 % similar 4-(4-Ethylphenyl)benzoic acid5731-13-572 % similar 4-Pentylbenzoic acid26311-45-570 % similar

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

Same formula

Phenylethyl phenylacetate102-20-5 4,4'-Dimethylbenzoin1218-89-9 4-(Benzyloxy)-3,5-dimethylbenzaldehyde144896-51-5 Photoanethole15638-14-9 trans-3,5-Dimethoxystilbene21956-56-9 1-[4-(Phenylmethoxy)phenyl]-1-propanone4495-66-3 (±)-Benzoin ethyl ether574-09-4

Elsewhere

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