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

C8H11ClOS — CID 130632241

IUPAC3-(2-chlorothiophen-3-yl)butan-2-ol
SMILESCC(O)C(C)c1ccsc1Cl
InChIInChI=1S/C8H11ClOS/c1-5(6(2)10)7-3-4-11-8(7)9/h3-6,10H,1-2H3
InChIKeyFHVCWUANRGDURG-UHFFFAOYSA-N
MW190.69 g/mol
LogP2.89
Rot. Bonds2

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

3-(2-chlorothiophen-3-yl)butan-2-ol (PubChem CID 130632241) has the molecular formula C8H11ClOS and a molecular weight of 190.69 g/mol. Its IUPAC name is 3-(2-chlorothiophen-3-yl)butan-2-ol.

Molecular Properties

Compound Name3-(2-chlorothiophen-3-yl)butan-2-ol
PubChem CID130632241
Molecular FormulaC8H11ClOS
Molecular Weight190.69 g/mol
Exact Mass190.02
IUPAC Name3-(2-chlorothiophen-3-yl)butan-2-ol
SMILESCC(O)C(C)c1ccsc1Cl
InChIInChI=1S/C8H11ClOS/c1-5(6(2)10)7-3-4-11-8(7)9/h3-6,10H,1-2H3
InChIKeyFHVCWUANRGDURG-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorothiophen-3-yl)butan-2-ol?
The IUPAC name of 3-(2-chlorothiophen-3-yl)butan-2-ol (CID 130632241) is 3-(2-chlorothiophen-3-yl)butan-2-ol.
What is the SMILES notation for 3-(2-chlorothiophen-3-yl)butan-2-ol?
The canonical SMILES for 3-(2-chlorothiophen-3-yl)butan-2-ol is CC(O)C(C)c1ccsc1Cl.
What is the InChIKey of 3-(2-chlorothiophen-3-yl)butan-2-ol?
The InChIKey is FHVCWUANRGDURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClOS/c1-5(6(2)10)7-3-4-11-8(7)9/h3-6,10H,1-2H3.
What are the key properties of 3-(2-chlorothiophen-3-yl)butan-2-ol?
3-(2-chlorothiophen-3-yl)butan-2-ol has a molecular weight of 190.69 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorothiophen-3-yl)butan-2-ol is sourced from PubChem (CID 130632241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).