1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol

C9H9ClOS — CID 63895314

IUPAC1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol
SMILESC#CCCC(O)c1ccc(Cl)s1
InChIInChI=1S/C9H9ClOS/c1-2-3-4-7(11)8-5-6-9(10)12-8/h1,5-7,11H,3-4H2
InChIKeyCBBTVAOABZOJFN-UHFFFAOYSA-N
MW200.69 g/mol
LogP2.85
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol

1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol (PubChem CID 63895314) has the molecular formula C9H9ClOS and a molecular weight of 200.69 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol
PubChem CID63895314
Molecular FormulaC9H9ClOS
Molecular Weight200.69 g/mol
Exact Mass200.01
IUPAC Name1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol
SMILESC#CCCC(O)c1ccc(Cl)s1
InChIInChI=1S/C9H9ClOS/c1-2-3-4-7(11)8-5-6-9(10)12-8/h1,5-7,11H,3-4H2
InChIKeyCBBTVAOABZOJFN-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol
CID 83001660
1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol
CID 105119763
1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol
CID 65149922
1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol
CID 105119672
1-(5-chlorothiophen-2-yl)-3-(propylamino)propan-1-ol
CID 112509992
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028130
1-(5-chlorothiophen-2-yl)-4-thiophen-2-ylbutan-1-ol
CID 105119774
1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)propan-1-ol
CID 112509961
1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105119687
1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol
CID 115817545
1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol
CID 102830296

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol (CID 63895314) is 1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol is C#CCCC(O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol?
The InChIKey is CBBTVAOABZOJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClOS/c1-2-3-4-7(11)8-5-6-9(10)12-8/h1,5-7,11H,3-4H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol?
1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol has a molecular weight of 200.69 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol is sourced from PubChem (CID 63895314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).