chempirical

9-Phenylnonanoic acid

C15H22O2CAS 16269-06-0234.34 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C15H22O2
Molar mass
234.34 g/mol
Exact mass
234.1620 Da
logP
4.04Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
9

Identifiers

CAS number
16269-06-0
SMILES
C1=CC=C(C=C1)CCCCCCCCC(=O)O
InChIKey
URWLWLXGACJYCO-UHFFFAOYSA-N
InChI
InChI=1S/C15H22O2/c16-15(17)13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2,(H,16,17)

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Names and synonyms

1 names
  • 9-Phenyl-nonanoic acid

Work with 9-Phenylnonanoic 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

8-Phenyloctanoic acid26547-51-3100 % similar Benzenepentadecanoic acid40228-93-1100 % similar Benzenepentanoic acid2270-20-496 % similar 4-Fluorobenzenepentanoic acid24484-22-866 % similar Ζ-Oxobenzeneheptanoic acid7472-43-766 % similar 5-Benzoylvaleric acid4144-62-163 % similar 15-(3,4-Dichlorophenyl)pentadecanoic acid116409-73-561 % similar Pimelic acid111-16-060 % similar

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

Same formula

3,5-Di-tert-butyl-4-hydroxybenzaldehyde1620-98-0 3,5-Bis(1,1-dimethylethyl)benzoic acid16225-26-6 2-Methyl-2-adamantyl methacrylate177080-67-0 Curcumenol19431-84-6 4-(Octyloxy)benzaldehyde24083-13-4 Valerenic acid3569-10-6 4-Octylbenzoic acid3575-31-3 3,5-Di-tert-butylsalicylaldehyde37942-07-7

Elsewhere

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