1-chloro-3-thiophen-2-ylpropan-2-ol

C7H9ClOS — CID 82254078

IUPAC1-chloro-3-thiophen-2-ylpropan-2-ol
SMILESOC(CCl)Cc1cccs1
InChIInChI=1S/C7H9ClOS/c8-5-6(9)4-7-2-1-3-10-7/h1-3,6,9H,4-5H2
InChIKeyMOEPFWGDPQSSAL-UHFFFAOYSA-N
MW176.67 g/mol
LogP1.89
Rot. Bonds3

About 1-chloro-3-thiophen-2-ylpropan-2-ol

1-chloro-3-thiophen-2-ylpropan-2-ol (PubChem CID 82254078) has the molecular formula C7H9ClOS and a molecular weight of 176.67 g/mol. Its IUPAC name is 1-chloro-3-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-chloro-3-thiophen-2-ylpropan-2-ol
PubChem CID82254078
Molecular FormulaC7H9ClOS
Molecular Weight176.67 g/mol
Exact Mass176.01
IUPAC Name1-chloro-3-thiophen-2-ylpropan-2-ol
SMILESOC(CCl)Cc1cccs1
InChIInChI=1S/C7H9ClOS/c8-5-6(9)4-7-2-1-3-10-7/h1-3,6,9H,4-5H2
InChIKeyMOEPFWGDPQSSAL-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-chloro-3-thiophen-2-ylpropan-2-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

4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
2-[2-(chloromethyl)butyl]thiophene
CID 66035000
1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 112561384
1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 112561777
3-methoxy-1-thiophen-2-ylbutan-2-ol
CID 79616428
(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
1-(diethylamino)-3-thiophen-2-ylpropan-2-ol
CID 121219027
2-(5-chloropentyl)thiophene
CID 4912993
1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 62500658
1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 114854584
1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol
CID 62606396

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-chloro-3-thiophen-2-ylpropan-2-ol (CID 82254078) is 1-chloro-3-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-chloro-3-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-chloro-3-thiophen-2-ylpropan-2-ol is OC(CCl)Cc1cccs1.
What is the InChIKey of 1-chloro-3-thiophen-2-ylpropan-2-ol?
The InChIKey is MOEPFWGDPQSSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClOS/c8-5-6(9)4-7-2-1-3-10-7/h1-3,6,9H,4-5H2.
What are the key properties of 1-chloro-3-thiophen-2-ylpropan-2-ol?
1-chloro-3-thiophen-2-ylpropan-2-ol has a molecular weight of 176.67 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 82254078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).