3-(5-chlorothiophen-2-yl)butan-1-ol

C8H11ClOS — CID 82075571

IUPAC3-(5-chlorothiophen-2-yl)butan-1-ol
SMILESCC(CCO)c1ccc(Cl)s1
InChIInChI=1S/C8H11ClOS/c1-6(4-5-10)7-2-3-8(9)11-7/h2-3,6,10H,4-5H2,1H3
InChIKeyKSGMXLWBDCFCEL-UHFFFAOYSA-N
MW190.69 g/mol
LogP2.89
Rot. Bonds3

About 3-(5-chlorothiophen-2-yl)butan-1-ol

3-(5-chlorothiophen-2-yl)butan-1-ol (PubChem CID 82075571) has the molecular formula C8H11ClOS and a molecular weight of 190.69 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)butan-1-ol.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)butan-1-ol
PubChem CID82075571
Molecular FormulaC8H11ClOS
Molecular Weight190.69 g/mol
Exact Mass190.02
IUPAC Name3-(5-chlorothiophen-2-yl)butan-1-ol
SMILESCC(CCO)c1ccc(Cl)s1
InChIInChI=1S/C8H11ClOS/c1-6(4-5-10)7-2-3-8(9)11-7/h2-3,6,10H,4-5H2,1H3
InChIKeyKSGMXLWBDCFCEL-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.69
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chlorothiophen-2-yl)butane-1-thiol
CID 83934850
3-(5-chlorothiophen-2-yl)-N-propan-2-ylbutan-1-amine
CID 81018474
2-amino-5-(5-chlorothiophen-2-yl)hexan-3-ol
CID 83934933
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 82092111
2-chloro-5-hex-4-yn-2-ylthiophene
CID 83934894
1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol
CID 61088930
2-(5-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
CID 82286142
(2E)-1-[3-(5-chlorothiophen-2-yl)butyl]-2-ethylidene-3-methylideneaziridine
CID 135294313
2-(1-bromoethyl)-5-chlorothiophene
CID 61096745
1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol
CID 105119672
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)butan-1-ol?
The IUPAC name of 3-(5-chlorothiophen-2-yl)butan-1-ol (CID 82075571) is 3-(5-chlorothiophen-2-yl)butan-1-ol.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)butan-1-ol?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)butan-1-ol is CC(CCO)c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)butan-1-ol?
The InChIKey is KSGMXLWBDCFCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClOS/c1-6(4-5-10)7-2-3-8(9)11-7/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)butan-1-ol?
3-(5-chlorothiophen-2-yl)butan-1-ol has a molecular weight of 190.69 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)butan-1-ol is sourced from PubChem (CID 82075571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).