2-[3-(4-methylphenyl)cyclohexyl]acetic acid

C15H20O2 — CID 3367209

IUPAC2-[3-(4-methylphenyl)cyclohexyl]acetic acid
SMILESCc1ccc(C2CCCC(CC(=O)O)C2)cc1
InChIInChI=1S/C15H20O2/c1-11-5-7-13(8-6-11)14-4-2-3-12(9-14)10-15(16)17/h5-8,12,14H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyWHSXOWGHZWMPER-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.74
Rot. Bonds3

About 2-[3-(4-methylphenyl)cyclohexyl]acetic acid

2-[3-(4-methylphenyl)cyclohexyl]acetic acid (PubChem CID 3367209) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)cyclohexyl]acetic acid
PubChem CID3367209
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-[3-(4-methylphenyl)cyclohexyl]acetic acid
SMILESCc1ccc(C2CCCC(CC(=O)O)C2)cc1
InChIInChI=1S/C15H20O2/c1-11-5-7-13(8-6-11)14-4-2-3-12(9-14)10-15(16)17/h5-8,12,14H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyWHSXOWGHZWMPER-UHFFFAOYSA-N
XLogP3.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68683333
2-[(3S)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68682784
2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid
CID 82295855
2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid
CID 82295362
2-[(1R,3R)-3-tert-butylcyclohexyl]acetic acid
CID 57180038
2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid
CID 82303682
2-[3-[4-[6-(3-methoxy-N-methylanilino)pyridazin-3-yl]phenyl]cyclohexyl]acetic acid
CID 66615922
2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide
CID 58862999
1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene
CID 58122658
2-[(3S)-3-(4-methylphenyl)cyclopentyl]ethylphosphonic acid
CID 71082160
2-[8-[1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609955
2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid
CID 87555105

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[3-(4-methylphenyl)cyclohexyl]acetic acid (CID 3367209) is 2-[3-(4-methylphenyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[3-(4-methylphenyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[3-(4-methylphenyl)cyclohexyl]acetic acid is Cc1ccc(C2CCCC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)cyclohexyl]acetic acid?
The InChIKey is WHSXOWGHZWMPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11-5-7-13(8-6-11)14-4-2-3-12(9-14)10-15(16)17/h5-8,12,14H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of 2-[3-(4-methylphenyl)cyclohexyl]acetic acid?
2-[3-(4-methylphenyl)cyclohexyl]acetic acid has a molecular weight of 232.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)cyclohexyl]acetic acid is sourced from PubChem (CID 3367209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).