4-chloro-4-thiophen-2-ylbutan-1-ol

C8H11ClOS — CID 82366969

IUPAC4-chloro-4-thiophen-2-ylbutan-1-ol
SMILESOCCCC(Cl)c1cccs1
InChIInChI=1S/C8H11ClOS/c9-7(3-1-5-10)8-4-2-6-11-8/h2,4,6-7,10H,1,3,5H2
InChIKeyNDIZQQSKNFUUEW-UHFFFAOYSA-N
MW190.69 g/mol
LogP2.80
Rot. Bonds4

About 4-chloro-4-thiophen-2-ylbutan-1-ol

4-chloro-4-thiophen-2-ylbutan-1-ol (PubChem CID 82366969) has the molecular formula C8H11ClOS and a molecular weight of 190.69 g/mol. Its IUPAC name is 4-chloro-4-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name4-chloro-4-thiophen-2-ylbutan-1-ol
PubChem CID82366969
Molecular FormulaC8H11ClOS
Molecular Weight190.69 g/mol
Exact Mass190.02
IUPAC Name4-chloro-4-thiophen-2-ylbutan-1-ol
SMILESOCCCC(Cl)c1cccs1
InChIInChI=1S/C8H11ClOS/c9-7(3-1-5-10)8-4-2-6-11-8/h2,4,6-7,10H,1,3,5H2
InChIKeyNDIZQQSKNFUUEW-UHFFFAOYSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.69
LogP ≤ 52.80
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

(3S)-3-chloro-3-thiophen-2-ylpropan-1-ol
CID 69099152
(3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 89397451
2-(1-chloro-3-methylbutyl)thiophene
CID 61085151
5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
CID 81408361
1-(2-chloro-2-thiophen-2-ylethyl)imidazole
CID 19870532
N-butyl-N-(2-chloro-2-thiophen-2-ylethyl)butan-1-amine
CID 82215055
2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol
CID 82215012
3-thiophen-2-ylpropan-1-ol
CID 13109866
(1S)-2-chloro-1-thiophen-2-ylethanol
CID 15981658
6-hydroxyhexyl-tris(thiophen-2-ylmethyl)phosphanium
CID 70232268
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
1-thiophen-2-ylpropane-1,2,3-triol
CID 59769549

Frequently Asked Questions

What is the IUPAC name of 4-chloro-4-thiophen-2-ylbutan-1-ol?
The IUPAC name of 4-chloro-4-thiophen-2-ylbutan-1-ol (CID 82366969) is 4-chloro-4-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 4-chloro-4-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 4-chloro-4-thiophen-2-ylbutan-1-ol is OCCCC(Cl)c1cccs1.
What is the InChIKey of 4-chloro-4-thiophen-2-ylbutan-1-ol?
The InChIKey is NDIZQQSKNFUUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClOS/c9-7(3-1-5-10)8-4-2-6-11-8/h2,4,6-7,10H,1,3,5H2.
What are the key properties of 4-chloro-4-thiophen-2-ylbutan-1-ol?
4-chloro-4-thiophen-2-ylbutan-1-ol has a molecular weight of 190.69 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-4-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 82366969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).