4'-Butyl-[1,1'-biphenyl]-4-carboxylic acid

C₁₇H₁₈O₂CAS 59662-46-3254.33 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₇H₁₈O₂
Molar mass: 254.33 g/mol
Exact mass: 254.1307 Da
logP: 4.39Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 5

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

59662-46-3

SMILES

CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

InChIKey

BVBTVBVHIQDKKW-UHFFFAOYSA-N

InChI

InChI=1S/C17H18O2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h5-12H,2-4H2,1H3,(H,18,19)

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Names and synonyms

1 names

4-(4-N-Butylphenyl)benzoic acid

Work with 4'-Butyl-[1,1'-biphenyl]-4-carboxylic 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′-Pentyl[1,1′-biphenyl]-4-carboxylic acid59662-47-491 % similar 4-Butylbenzoic acid20651-71-290 % similar 4′-Heptylbiphenyl-4-carboxylic acid58573-94-788 % similar 4-(4′-Hexylphenyl)benzoic acid59662-48-588 % similar 4-Pentylbenzoic acid26311-45-581 % similar 4-(4-N-Propylphenyl)benzoic acid88038-94-281 % similar 4-Hexylbenzoic acid21643-38-979 % similar 4-Octylbenzoic acid3575-31-379 % similar

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

Same formula

Benzyl isoeugenol120-11-6 9,9-Bis(methoxymethyl)fluorene182121-12-6 2,2'-(9H-Fluorene-9,9-diyl)diethanol203070-78-4 4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid5748-42-5 Benzoin isopropyl ether6652-28-4 2-(1-Methylethyl)-5-[(1E)-2-phenylethenyl]-1,3-benzenediol79338-84-4

Elsewhere

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