4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid

C15H20O3 — CID 112745348

IUPAC4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(CC2(C(=O)O)CCC(O)CC2)cc1
InChIInChI=1S/C15H20O3/c1-11-2-4-12(5-3-11)10-15(14(17)18)8-6-13(16)7-9-15/h2-5,13,16H,6-10H2,1H3,(H,17,18)
InChIKeyJSEWTNZNPPPRRF-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.54
Rot. Bonds3

About 4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid

4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 112745348) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid
PubChem CID112745348
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(CC2(C(=O)O)CCC(O)CC2)cc1
InChIInChI=1S/C15H20O3/c1-11-2-4-12(5-3-11)10-15(14(17)18)8-6-13(16)7-9-15/h2-5,13,16H,6-10H2,1H3,(H,17,18)
InChIKeyJSEWTNZNPPPRRF-UHFFFAOYSA-N
XLogP2.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid (CID 112745348) is 4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid is Cc1ccc(CC2(C(=O)O)CCC(O)CC2)cc1.
What is the InChIKey of 4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is JSEWTNZNPPPRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11-2-4-12(5-3-11)10-15(14(17)18)8-6-13(16)7-9-15/h2-5,13,16H,6-10H2,1H3,(H,17,18).
What are the key properties of 4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid?
4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 248.32 g/mol, XLogP of 2.54, 3 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)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 112745348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).