4-(4-methylcyclohexyl)benzoic acid

C14H18O2 — CID 56632428

IUPAC4-(4-methylcyclohexyl)benzoic acid
SMILESCC1CCC(c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C14H18O2/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)16/h6-11H,2-5H2,1H3,(H,15,16)
InChIKeyCXGJVXLLWNWWFM-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.68
Rot. Bonds2

About 4-(4-methylcyclohexyl)benzoic acid

4-(4-methylcyclohexyl)benzoic acid (PubChem CID 56632428) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(4-methylcyclohexyl)benzoic acid.

Molecular Properties

Compound Name4-(4-methylcyclohexyl)benzoic acid
PubChem CID56632428
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name4-(4-methylcyclohexyl)benzoic acid
SMILESCC1CCC(c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C14H18O2/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)16/h6-11H,2-5H2,1H3,(H,15,16)
InChIKeyCXGJVXLLWNWWFM-UHFFFAOYSA-N
XLogP3.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dimethylcyclohexane;terephthalic acid
CID 66647934
2-bromo-1-[4-(4-methylcyclohexyl)phenyl]ethanone
CID 141124897
4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid
CID 19938016
3,3-difluoro-3-[4-(4-methylcyclohexyl)phenyl]propanoic acid
CID 162547919
4-(4-heptylcyclohexyl)benzoic acid
CID 12700035
4-(4-cyclobutylphenyl)benzoic acid
CID 116506494
4-(4-pent-1-enylcyclohexyl)benzoic acid
CID 54142034
ethyl 2-[4-(4-methylcyclohexyl)phenyl]-2-oxoacetate
CID 117438595
4-(1-methylazepan-4-yl)benzoic acid
CID 83841215
2-(4-cyclopropylphenyl)-2-oxoacetic acid
CID 117281739
2-[4-(4-methylcyclohexyl)phenyl]propan-2-ol
CID 117336939
1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone
CID 59938752

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexyl)benzoic acid?
The IUPAC name of 4-(4-methylcyclohexyl)benzoic acid (CID 56632428) is 4-(4-methylcyclohexyl)benzoic acid.
What is the SMILES notation for 4-(4-methylcyclohexyl)benzoic acid?
The canonical SMILES for 4-(4-methylcyclohexyl)benzoic acid is CC1CCC(c2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-(4-methylcyclohexyl)benzoic acid?
The InChIKey is CXGJVXLLWNWWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)16/h6-11H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-(4-methylcyclohexyl)benzoic acid?
4-(4-methylcyclohexyl)benzoic acid has a molecular weight of 218.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexyl)benzoic acid is sourced from PubChem (CID 56632428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).