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

C13H16O4 — CID 115041368

IUPAC4-hydroxy-1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(O)cc2)CCC(O)CC1
InChIInChI=1S/C13H16O4/c14-10-3-1-9(2-4-10)13(12(16)17)7-5-11(15)6-8-13/h1-4,11,14-15H,5-8H2,(H,16,17)
InChIKeyMHIIOHSUXIFDCV-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.65
Rot. Bonds2

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

4-hydroxy-1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid (PubChem CID 115041368) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-hydroxy-1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid
PubChem CID115041368
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name4-hydroxy-1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(O)cc2)CCC(O)CC1
InChIInChI=1S/C13H16O4/c14-10-3-1-9(2-4-10)13(12(16)17)7-5-11(15)6-8-13/h1-4,11,14-15H,5-8H2,(H,16,17)
InChIKeyMHIIOHSUXIFDCV-UHFFFAOYSA-N
XLogP1.65
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 83714976
4-fluoro-1-phenylcyclohexane-1-carboxylic acid
CID 83853907
3-(4-hydroxyphenyl)oxolane-3-carboxylic acid
CID 83820385
3-hydroxy-1-(4-hydroxyphenyl)-3-methylcyclobutane-1-carboxylic acid
CID 115033215
4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid
CID 83709599
4-methoxy-1-phenylcyclohexane-1-carboxylic acid
CID 23294898
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117410996
1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid
CID 117462129
1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid
CID 58216595
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
ethane;1-(4-hydroxyphenyl)cyclopropane-1-carboxamide
CID 143988674

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid (CID 115041368) is 4-hydroxy-1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid is O=C(O)C1(c2ccc(O)cc2)CCC(O)CC1.
What is the InChIKey of 4-hydroxy-1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is MHIIOHSUXIFDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c14-10-3-1-9(2-4-10)13(12(16)17)7-5-11(15)6-8-13/h1-4,11,14-15H,5-8H2,(H,16,17).
What are the key properties of 4-hydroxy-1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid?
4-hydroxy-1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115041368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).