1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol

C11H22O2 — CID 126505676

IUPAC1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol
SMILESCCCC(O)C1CCC(CO)CC1
InChIInChI=1S/C11H22O2/c1-2-3-11(13)10-6-4-9(8-12)5-7-10/h9-13H,2-8H2,1H3
InChIKeyTXACHDQGCGIXLC-UHFFFAOYSA-N
MW186.29 g/mol
LogP1.95
Rot. Bonds4

About 1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol

1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol (PubChem CID 126505676) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol
PubChem CID126505676
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol
SMILESCCCC(O)C1CCC(CO)CC1
InChIInChI=1S/C11H22O2/c1-2-3-11(13)10-6-4-9(8-12)5-7-10/h9-13H,2-8H2,1H3
InChIKeyTXACHDQGCGIXLC-UHFFFAOYSA-N
XLogP1.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol 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-[4-(2-hydroxyethyl)cyclohexyl]butan-1-ol
CID 126505597
[4-(2-methylpentyl)cyclohexyl]methanol
CID 129166925
1-(4-propan-2-ylcycloheptyl)butan-1-ol
CID 83050929
1-cyclopropylpentan-1-ol
CID 551238
[4-(hydroxymethyl)cyclohexyl]methanediol
CID 66765229
1-cyclopropyl-3-(4-methylcyclohexyl)propan-1-ol
CID 64775324
hexane-1,1-diol;[4-(hydroxymethyl)cyclohexyl]methanol
CID 18471210
1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-ol
CID 83051969
[4-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]cyclohexyl]methanol
CID 154096960
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropyltridecan-1-ol
CID 63410999

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol?
The IUPAC name of 1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol (CID 126505676) is 1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol.
What is the SMILES notation for 1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol?
The canonical SMILES for 1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol is CCCC(O)C1CCC(CO)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol?
The InChIKey is TXACHDQGCGIXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-2-3-11(13)10-6-4-9(8-12)5-7-10/h9-13H,2-8H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol?
1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)cyclohexyl]butan-1-ol is sourced from PubChem (CID 126505676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).