1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol

C12H17ClO2S — CID 103451627

IUPAC1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol
SMILESOC(Cc1ccc(Cl)s1)C1(O)CCCCC1
InChIInChI=1S/C12H17ClO2S/c13-11-5-4-9(16-11)8-10(14)12(15)6-2-1-3-7-12/h4-5,10,14-15H,1-3,6-8H2
InChIKeyBNOHKMZVCPYINZ-UHFFFAOYSA-N
MW260.79 g/mol
LogP3.00
Rot. Bonds3

About 1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol

1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol (PubChem CID 103451627) has the molecular formula C12H17ClO2S and a molecular weight of 260.79 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol
PubChem CID103451627
Molecular FormulaC12H17ClO2S
Molecular Weight260.79 g/mol
Exact Mass260.06
IUPAC Name1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol
SMILESOC(Cc1ccc(Cl)s1)C1(O)CCCCC1
InChIInChI=1S/C12H17ClO2S/c13-11-5-4-9(16-11)8-10(14)12(15)6-2-1-3-7-12/h4-5,10,14-15H,1-3,6-8H2
InChIKeyBNOHKMZVCPYINZ-UHFFFAOYSA-N
XLogP3.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-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-[2-(5-bromothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451857
1-[(5-chlorothiophen-2-yl)methyl]cycloheptan-1-ol
CID 65147193
1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452109
1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452151
1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 106867637
2-(5-chlorothiophen-2-yl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
CID 79074352
2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829545
1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol
CID 103452194
4-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-1-hydroxyethyl]oxan-4-ol
CID 154844528
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763846
1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452055
1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448325

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol (CID 103451627) is 1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol is OC(Cc1ccc(Cl)s1)C1(O)CCCCC1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol?
The InChIKey is BNOHKMZVCPYINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2S/c13-11-5-4-9(16-11)8-10(14)12(15)6-2-1-3-7-12/h4-5,10,14-15H,1-3,6-8H2.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol?
1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol has a molecular weight of 260.79 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol is sourced from PubChem (CID 103451627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).