1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid

C15H26O3 — CID 79426055

IUPAC1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(CC2(O)CCCCC2)(C(=O)O)C1
InChIInChI=1S/C15H26O3/c1-12-6-5-7-14(10-12,13(16)17)11-15(18)8-3-2-4-9-15/h12,18H,2-11H2,1H3,(H,16,17)
InChIKeyLXHCRWMENSJHEU-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.35
Rot. Bonds3

About 1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid

1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 79426055) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid
PubChem CID79426055
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(CC2(O)CCCCC2)(C(=O)O)C1
InChIInChI=1S/C15H26O3/c1-12-6-5-7-14(10-12,13(16)17)11-15(18)8-3-2-4-9-15/h12,18H,2-11H2,1H3,(H,16,17)
InChIKeyLXHCRWMENSJHEU-UHFFFAOYSA-N
XLogP3.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid
CID 79426153
1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid
CID 79424868
1-(2-cyclohexylethyl)-3-methylcyclohexane-1-carboxylic acid
CID 114193199
1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79429318
1-(3,3-dimethylbutyl)-3-methylcyclohexane-1-carboxylic acid
CID 65393866
4-tert-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid
CID 79426221
(Z)-1-(1-ethylcyclohexyl)-3-(1-ethyl-3-methylcyclohexyl)-3-hydroxyprop-2-en-1-one
CID 166917675
1-ethyl-4-methylcycloheptane-1-carboxylic acid
CID 89094333
1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 65392622
1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid
CID 103184870
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid
CID 79424914

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid (CID 79426055) is 1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid is CC1CCCC(CC2(O)CCCCC2)(C(=O)O)C1.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is LXHCRWMENSJHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-12-6-5-7-14(10-12,13(16)17)11-15(18)8-3-2-4-9-15/h12,18H,2-11H2,1H3,(H,16,17).
What are the key properties of 1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid?
1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 79426055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).