4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid

C14H18O3 — CID 83714976

IUPAC4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1ccc(C2(C(=O)O)CCC(O)CC2)cc1
InChIInChI=1S/C14H18O3/c1-10-2-4-11(5-3-10)14(13(16)17)8-6-12(15)7-9-14/h2-5,12,15H,6-9H2,1H3,(H,16,17)
InChIKeyRPQMSOXTVMFHEX-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.25
Rot. Bonds2

About 4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid

4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid (PubChem CID 83714976) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid
PubChem CID83714976
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid
SMILESCc1ccc(C2(C(=O)O)CCC(O)CC2)cc1
InChIInChI=1S/C14H18O3/c1-10-2-4-11(5-3-10)14(13(16)17)8-6-12(15)7-9-14/h2-5,12,15H,6-9H2,1H3,(H,16,17)
InChIKeyRPQMSOXTVMFHEX-UHFFFAOYSA-N
XLogP2.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 115041368
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 112745348
8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 91037658
4-fluoro-1-phenylcyclohexane-1-carboxylic acid
CID 83853907
4-(4-methylphenyl)-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 95478200
1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]cyclopropane-1-carboxylic acid
CID 112557964
4-methoxy-1-phenylcyclohexane-1-carboxylic acid
CID 23294898
4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid
CID 83709599
1,2,3,4,5,6-hexakis(4-methylphenyl)cyclohexane-1,2,3,4,5,6-hexacarboxylic acid
CID 66621345
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117410996

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid (CID 83714976) is 4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid is Cc1ccc(C2(C(=O)O)CCC(O)CC2)cc1.
What is the InChIKey of 4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is RPQMSOXTVMFHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10-2-4-11(5-3-10)14(13(16)17)8-6-12(15)7-9-14/h2-5,12,15H,6-9H2,1H3,(H,16,17).
What are the key properties of 4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid?
4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 83714976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).