1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol

C12H13ClOS2 — CID 105119774

IUPAC1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol
SMILESOC(CCCc1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClOS2/c13-12-7-6-11(16-12)10(14)5-1-3-9-4-2-8-15-9/h2,4,6-8,10,14H,1,3,5H2
InChIKeyUSUWAGMVTXCDFD-UHFFFAOYSA-N
MW272.82 g/mol
LogP4.52
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol

1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol (PubChem CID 105119774) has the molecular formula C12H13ClOS2 and a molecular weight of 272.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol
PubChem CID105119774
Molecular FormulaC12H13ClOS2
Molecular Weight272.82 g/mol
Exact Mass272.01
IUPAC Name1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol
SMILESOC(CCCc1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C12H13ClOS2/c13-12-7-6-11(16-12)10(14)5-1-3-9-4-2-8-15-9/h2,4,6-8,10,14H,1,3,5H2
InChIKeyUSUWAGMVTXCDFD-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol
CID 65149922
1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol
CID 65150040
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 51726837
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 51726838
(5-chlorothiophen-2-yl)-thiophen-2-ylmethanol
CID 43234424
(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethanol
CID 93029791
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-ethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111502234
(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol
CID 83001660
1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105119687
1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol
CID 63895314

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol (CID 105119774) is 1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol is OC(CCCc1cccs1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol?
The InChIKey is USUWAGMVTXCDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClOS2/c13-12-7-6-11(16-12)10(14)5-1-3-9-4-2-8-15-9/h2,4,6-8,10,14H,1,3,5H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol?
1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol has a molecular weight of 272.82 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 105119774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).