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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Related Compounds

4-(hydroxymethyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol
CID 112745441
2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 65406805
1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 62738855
4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 83714976
1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116928817
1-[(4-bromophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 65393284
1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 123851701
1-[(4-bromophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65424126
4-methyl-1-[(3-methylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 65393242
1-benzylcyclopropane-1-carboxylic acid
CID 562561
1-[(4-chlorophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65425479
1-[(2-fluorophenyl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 112745350

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).