2-chloro-1-thiophen-2-ylethanol

C6H7ClOS — CID 15981657

IUPAC2-chloro-1-thiophen-2-ylethanol
SMILESOC(CCl)c1cccs1
InChIInChI=1S/C6H7ClOS/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4H2
InChIKeyKBXQOVVOIBVNLG-UHFFFAOYSA-N
MW162.64 g/mol
LogP2.02
Rot. Bonds2

About 2-chloro-1-thiophen-2-ylethanol

2-chloro-1-thiophen-2-ylethanol (PubChem CID 15981657) has the molecular formula C6H7ClOS and a molecular weight of 162.64 g/mol. Its IUPAC name is 2-chloro-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-chloro-1-thiophen-2-ylethanol
PubChem CID15981657
Molecular FormulaC6H7ClOS
Molecular Weight162.64 g/mol
Exact Mass161.99
IUPAC Name2-chloro-1-thiophen-2-ylethanol
SMILESOC(CCl)c1cccs1
InChIInChI=1S/C6H7ClOS/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4H2
InChIKeyKBXQOVVOIBVNLG-UHFFFAOYSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.64
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Thiophenemethanol
CID 69467
alpha-Methyl-2-thiophenemethanol
CID 102782
Xanthopappin B
CID 16083187
(1S)-1-(thiophen-2-yl)ethan-1-ol
CID 10887923
2,2,2-Trifluoro-1-(thiophen-2-yl)ethan-1-ol
CID 10954147
1-(Thiophen-2-yl)propan-1-ol
CID 13566813
1-(5-Chlorothiophen-2-yl)ethan-1-ol
CID 15361441
(1R)-1-(2-Thienyl)ethanol
CID 11062410
(5-Chlorothiophen-2-yl)methanol
CID 12554178
2-Thiophenemethanol, alpha-ethenyl-
CID 11434996
(4-Chlorothiophen-2-yl)methanol
CID 67154484
(1R)-2-chloro-1-[5-[(E)-hept-5-en-1,3-diynyl]thiophen-2-yl]ethanol
CID 163011269

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-thiophen-2-ylethanol?
The IUPAC name of 2-chloro-1-thiophen-2-ylethanol (CID 15981657) is 2-chloro-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-chloro-1-thiophen-2-ylethanol?
The canonical SMILES for 2-chloro-1-thiophen-2-ylethanol is OC(CCl)c1cccs1.
What is the InChIKey of 2-chloro-1-thiophen-2-ylethanol?
The InChIKey is KBXQOVVOIBVNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClOS/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4H2.
What are the key properties of 2-chloro-1-thiophen-2-ylethanol?
2-chloro-1-thiophen-2-ylethanol has a molecular weight of 162.64 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-thiophen-2-ylethanol is sourced from PubChem (CID 15981657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).