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

C7H9ClOS — CID 11658374

IUPAC3-chloro-1-thiophen-2-ylpropan-1-ol
SMILESOC(CCCl)c1cccs1
InChIInChI=1S/C7H9ClOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,9H,3-4H2
InChIKeyYISRPYKYTBBHBK-UHFFFAOYSA-N
MW176.67 g/mol
LogP2.41
Rot. Bonds3

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

3-chloro-1-thiophen-2-ylpropan-1-ol (PubChem CID 11658374) has the molecular formula C7H9ClOS and a molecular weight of 176.67 g/mol. Its IUPAC name is 3-chloro-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-chloro-1-thiophen-2-ylpropan-1-ol
PubChem CID11658374
Molecular FormulaC7H9ClOS
Molecular Weight176.67 g/mol
Exact Mass176.01
IUPAC Name3-chloro-1-thiophen-2-ylpropan-1-ol
SMILESOC(CCCl)c1cccs1
InChIInChI=1S/C7H9ClOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,9H,3-4H2
InChIKeyYISRPYKYTBBHBK-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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 3-chloro-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-chloro-1-thiophen-2-ylpropan-1-ol (CID 11658374) is 3-chloro-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-chloro-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-chloro-1-thiophen-2-ylpropan-1-ol is OC(CCCl)c1cccs1.
What is the InChIKey of 3-chloro-1-thiophen-2-ylpropan-1-ol?
The InChIKey is YISRPYKYTBBHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,9H,3-4H2.
What are the key properties of 3-chloro-1-thiophen-2-ylpropan-1-ol?
3-chloro-1-thiophen-2-ylpropan-1-ol has a molecular weight of 176.67 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 11658374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).