1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol

C9H18O3 — CID 157065272

IUPAC1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol
SMILESOCC(O)C1(CO)CCCCC1
InChIInChI=1S/C9H18O3/c10-6-8(12)9(7-11)4-2-1-3-5-9/h8,10-12H,1-7H2
InChIKeyJNCASFSYPGXKKJ-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.28
Rot. Bonds3

About 1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol

1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol (PubChem CID 157065272) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol
PubChem CID157065272
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol
SMILESOCC(O)C1(CO)CCCCC1
InChIInChI=1S/C9H18O3/c10-6-8(12)9(7-11)4-2-1-3-5-9/h8,10-12H,1-7H2
InChIKeyJNCASFSYPGXKKJ-UHFFFAOYSA-N
XLogP0.28
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol 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-(hydroxymethyl)piperidin-4-yl]ethane-1,2-diol
CID 154222785
1-[1-(hydroxymethyl)cyclobutyl]-3-methylbutan-1-ol
CID 102551279
1-[1-(hydroxymethyl)cyclopropyl]-3-methylbutan-1-ol
CID 102551269
(R)-cyclopropyl-[1-(hydroxymethyl)cyclopropyl]methanol
CID 96543946
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250
[1-(1-aminoethyl)cyclobutyl]methanol;hydrochloride
CID 155893033
1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride
CID 146101816
(1-bromocyclohexyl)methanol
CID 86185872
(1-bromocycloheptyl)methanol
CID 134992800
acetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol
CID 68668361
(2R)-4-(1-hydroxycyclohexyl)butane-1,2-diol
CID 102425683
1-[1-(aminomethyl)cycloheptyl]-2-methylpropan-1-ol
CID 79138126

Frequently Asked Questions

What is the IUPAC name of 1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol?
The IUPAC name of 1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol (CID 157065272) is 1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol is OCC(O)C1(CO)CCCCC1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol?
The InChIKey is JNCASFSYPGXKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c10-6-8(12)9(7-11)4-2-1-3-5-9/h8,10-12H,1-7H2.
What are the key properties of 1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol?
1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol has a molecular weight of 174.24 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol is sourced from PubChem (CID 157065272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).