cyclohexane-1,4-diol;hydrochloride

C6H13ClO2 — CID 141062883

IUPACcyclohexane-1,4-diol;hydrochloride
SMILESCl.OC1CCC(O)CC1
InChIInChI=1S/C6H12O2.ClH/c7-5-1-2-6(8)4-3-5;/h5-8H,1-4H2;1H
InChIKeyVGAUFKJKTDRLBC-UHFFFAOYSA-N
MW152.62 g/mol
LogP0.70
Rot. Bonds

About cyclohexane-1,4-diol;hydrochloride

cyclohexane-1,4-diol;hydrochloride (PubChem CID 141062883) has the molecular formula C6H13ClO2 and a molecular weight of 152.62 g/mol. Its IUPAC name is cyclohexane-1,4-diol;hydrochloride.

Molecular Properties

Compound Namecyclohexane-1,4-diol;hydrochloride
PubChem CID141062883
Molecular FormulaC6H13ClO2
Molecular Weight152.62 g/mol
Exact Mass152.06
IUPAC Namecyclohexane-1,4-diol;hydrochloride
SMILESCl.OC1CCC(O)CC1
InChIInChI=1S/C6H12O2.ClH/c7-5-1-2-6(8)4-3-5;/h5-8H,1-4H2;1H
InChIKeyVGAUFKJKTDRLBC-UHFFFAOYSA-N
XLogP0.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.62
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cyclohexane-1,4-diol;hydrochloride 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

cyclohexane-1,4-diol
CID 11162
potassium cyclopropanol
CID 18764435
cyclopentanol;dihydrochloride
CID 86599054
cyclobutanol;cyclopropanol
CID 175019048
4,5-difluorocycloheptan-1-ol
CID 155001040
4-amino(1,2,3,4,5,6-13C6)cyclohexan-1-ol
CID 172990620
4-methylcyclohexan-1-ol
CID 11524
4-iodocyclohexan-1-ol
CID 22133003
1,7-diazacyclopentadecane-4,10,13-triol
CID 174313060
4-cyclobutylcyclohexan-1-ol
CID 116963310
cyclopropanamine;cyclopropanol
CID 67718225
pentakis(cyclopentanol);hafnium
CID 142301948

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,4-diol;hydrochloride?
The IUPAC name of cyclohexane-1,4-diol;hydrochloride (CID 141062883) is cyclohexane-1,4-diol;hydrochloride.
What is the SMILES notation for cyclohexane-1,4-diol;hydrochloride?
The canonical SMILES for cyclohexane-1,4-diol;hydrochloride is Cl.OC1CCC(O)CC1.
What is the InChIKey of cyclohexane-1,4-diol;hydrochloride?
The InChIKey is VGAUFKJKTDRLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.ClH/c7-5-1-2-6(8)4-3-5;/h5-8H,1-4H2;1H.
What are the key properties of cyclohexane-1,4-diol;hydrochloride?
cyclohexane-1,4-diol;hydrochloride has a molecular weight of 152.62 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,4-diol;hydrochloride is sourced from PubChem (CID 141062883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).