chempirical

1-Phenylcyclopentanecarboxylic acid

C12H14O2CAS 77-55-4190.24 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C12H14O2
Molar mass
190.24 g/mol
Exact mass
190.0994 Da
Melting point
158–159 °C
Boiling point
107–108 °C (at 0.3 Torr)
logP
2.58Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
77-55-4
SMILES
O=C(O)C1(c2ccccc2)CCCC1
InChIKey
RHPCYZLXNNRRMB-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O2/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)

Weigh it out

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

Names and synonyms

4 names
  • Cyclopentanecarboxylic acid, 1-phenyl-
  • 1-Phenylcyclopentane-1-carboxylic acid
  • NSC 19462
  • 1-Phenylcyclopentan-1-carboxylic acid

Work with 1-Phenylcyclopentanecarboxylic 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

1-Phenylcyclohexanecarboxylic acid1135-67-796 % similar 1-Phenylcyclopropanecarboxylic acid6120-95-285 % similar 4-Phenyl-4-piperidinecarboxylic acid3627-45-071 % similar 1-(4-Chlorophenyl)cyclohexanecarboxylic acid58880-37-869 % similar 1-(4-Chlorophenyl)cyclobutanecarboxylic acid50921-39-666 % similar 2-Ethyl-2-phenylbutyric acid5465-28-165 % similar 1-(4-Chlorophenyl)cyclopropanecarboxylic acid72934-37-359 % similar Triphenylacetic acid595-91-555 % similar

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

Same formula

Cinnamyl propionate103-56-0 1-(4-Methoxyphenyl)-1-penten-3-one104-27-8 4-(4′-Hydroxyphenyl)cyclohexanone105640-07-1 4-Vinylbenzyl glycidyl ether113538-80-0 1-Methyl-7-methoxy-2-tetralone1204-23-5 Ethyl 3-(4-methylphenyl)-2-propenoate20511-20-0 3-[4-(1-Methylethyl)phenyl]-2-propenoic acid3368-21-6 Benzyl tiglate37526-88-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook