3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid

C17H23BrO2 — CID 79418826

IUPAC3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid
SMILESCCC1CCCC(C(Cc2ccccc2Br)C(=O)O)C1
InChIInChI=1S/C17H23BrO2/c1-2-12-6-5-8-13(10-12)15(17(19)20)11-14-7-3-4-9-16(14)18/h3-4,7,9,12-13,15H,2,5-6,8,10-11H2,1H3,(H,19,20)
InChIKeyGLFYZHRWWXEZEK-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.91
Rot. Bonds5

About 3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid

3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid (PubChem CID 79418826) has the molecular formula C17H23BrO2 and a molecular weight of 339.27 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid
PubChem CID79418826
Molecular FormulaC17H23BrO2
Molecular Weight339.27 g/mol
Exact Mass338.09
IUPAC Name3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid
SMILESCCC1CCCC(C(Cc2ccccc2Br)C(=O)O)C1
InChIInChI=1S/C17H23BrO2/c1-2-12-6-5-8-13(10-12)15(17(19)20)11-14-7-3-4-9-16(14)18/h3-4,7,9,12-13,15H,2,5-6,8,10-11H2,1H3,(H,19,20)
InChIKeyGLFYZHRWWXEZEK-UHFFFAOYSA-N
XLogP4.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid
CID 79418176
3-(2-bromophenyl)-2-(oxan-4-yl)propanoic acid
CID 79418749
2-(3-ethylcyclohexyl)-3-(3-methylphenyl)propanoic acid
CID 79418060
3-(2-bromophenyl)-2-(2-hydroxycycloheptyl)propanoic acid
CID 79418747
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
CID 64747832
2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol
CID 55187545
2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid
CID 79418094
3-(2-bromo-4-fluorophenyl)-2-cyclopentylpropanoic acid
CID 112569192
(3-ethylcyclohexyl)-(2-ethylphenyl)methanone
CID 114976419
(3-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 114976475
[2-(2-bromophenyl)-1-cyclohexylethyl]hydrazine
CID 105201966
[1-(2-bromophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 105214950

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid?
The IUPAC name of 3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid (CID 79418826) is 3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid.
What is the SMILES notation for 3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid?
The canonical SMILES for 3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid is CCC1CCCC(C(Cc2ccccc2Br)C(=O)O)C1.
What is the InChIKey of 3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid?
The InChIKey is GLFYZHRWWXEZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrO2/c1-2-12-6-5-8-13(10-12)15(17(19)20)11-14-7-3-4-9-16(14)18/h3-4,7,9,12-13,15H,2,5-6,8,10-11H2,1H3,(H,19,20).
What are the key properties of 3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid?
3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid has a molecular weight of 339.27 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-2-(3-ethylcyclohexyl)propanoic acid is sourced from PubChem (CID 79418826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).