3-(2-chlorophenyl)-3-cyclohexylpropanoic acid

C15H19ClO2 — CID 82092094

IUPAC3-(2-chlorophenyl)-3-cyclohexylpropanoic acid
SMILESO=C(O)CC(c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C15H19ClO2/c16-14-9-5-4-8-12(14)13(10-15(17)18)11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10H2,(H,17,18)
InChIKeyYITBAMGBYCFTTC-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.48
Rot. Bonds4

About 3-(2-chlorophenyl)-3-cyclohexylpropanoic acid

3-(2-chlorophenyl)-3-cyclohexylpropanoic acid (PubChem CID 82092094) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-cyclohexylpropanoic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-cyclohexylpropanoic acid
PubChem CID82092094
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name3-(2-chlorophenyl)-3-cyclohexylpropanoic acid
SMILESO=C(O)CC(c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C15H19ClO2/c16-14-9-5-4-8-12(14)13(10-15(17)18)11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10H2,(H,17,18)
InChIKeyYITBAMGBYCFTTC-UHFFFAOYSA-N
XLogP4.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-2-cyclobutylethanamine
CID 83688611
3-cyclopropyl-3-[2-(pyrrolidin-1-ylmethyl)phenyl]propanoic acid
CID 117436283
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid
CID 64527224
1-chloro-2-[chloro(cyclohexyl)methyl]benzene
CID 86209125
(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160
3-[1-[1-(2-chlorophenyl)ethyl]piperidin-3-yl]butanoic acid
CID 81047875
3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid
CID 117107758
1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one
CID 73011663
(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
CID 51711852
3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid
CID 117358615
3-(2-bromo-6-chlorophenyl)-3-cyclopropylpropanoic acid
CID 117488697

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-cyclohexylpropanoic acid?
The IUPAC name of 3-(2-chlorophenyl)-3-cyclohexylpropanoic acid (CID 82092094) is 3-(2-chlorophenyl)-3-cyclohexylpropanoic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-3-cyclohexylpropanoic acid?
The canonical SMILES for 3-(2-chlorophenyl)-3-cyclohexylpropanoic acid is O=C(O)CC(c1ccccc1Cl)C1CCCCC1.
What is the InChIKey of 3-(2-chlorophenyl)-3-cyclohexylpropanoic acid?
The InChIKey is YITBAMGBYCFTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c16-14-9-5-4-8-12(14)13(10-15(17)18)11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10H2,(H,17,18).
What are the key properties of 3-(2-chlorophenyl)-3-cyclohexylpropanoic acid?
3-(2-chlorophenyl)-3-cyclohexylpropanoic acid has a molecular weight of 266.77 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-cyclohexylpropanoic acid is sourced from PubChem (CID 82092094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).