4′-Heptylbiphenyl-4-carboxylic acid

C20H24O2CAS 58573-94-7296.41 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C20H24O2
Molar mass
296.41 g/mol
Exact mass
296.1776 Da
logP
5.56Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
8

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
58573-94-7
SMILES
CCCCCCCc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIKey
XVROSBHWACAQRL-UHFFFAOYSA-N
InChI
InChI=1S/C20H24O2/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H,21,22)

Weigh it out

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

Names and synonyms

2 names
  • [1,1′-Biphenyl]-4-carboxylic acid, 4′-heptyl-
  • 4′-Heptyl[1,1′-biphenyl]-4-carboxylic acid

Work with 4′-Heptylbiphenyl-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-(4′-Hexylphenyl)benzoic acid59662-48-5100 % similar 4′-Pentyl[1,1′-biphenyl]-4-carboxylic acid59662-47-497 % similar 4-Hexylbenzoic acid21643-38-991 % similar 4-Octylbenzoic acid3575-31-391 % similar 4-Nonylbenzoic acid38289-46-291 % similar 4-Heptylbenzoic acid38350-87-791 % similar 4'-Butyl-[1,1'-biphenyl]-4-carboxylic acid59662-46-388 % similar 4-Pentylbenzoic acid26311-45-588 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Exemestane107868-30-4 Ethinylestradiol57-63-6

Elsewhere

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