2-(5-chlorothiophen-2-yl)propan-2-ol

C7H9ClOS — CID 79001600

IUPAC2-(5-chlorothiophen-2-yl)propan-2-ol
SMILESCC(C)(O)c1ccc(Cl)s1
InChIInChI=1S/C7H9ClOS/c1-7(2,9)5-3-4-6(8)10-5/h3-4,9H,1-2H3
InChIKeyFHCURRNAUSZZKL-UHFFFAOYSA-N
MW176.67 g/mol
LogP2.63
Rot. Bonds1

About 2-(5-chlorothiophen-2-yl)propan-2-ol

2-(5-chlorothiophen-2-yl)propan-2-ol (PubChem CID 79001600) has the molecular formula C7H9ClOS and a molecular weight of 176.67 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)propan-2-ol
PubChem CID79001600
Molecular FormulaC7H9ClOS
Molecular Weight176.67 g/mol
Exact Mass176.01
IUPAC Name2-(5-chlorothiophen-2-yl)propan-2-ol
SMILESCC(C)(O)c1ccc(Cl)s1
InChIInChI=1S/C7H9ClOS/c1-7(2,9)5-3-4-6(8)10-5/h3-4,9H,1-2H3
InChIKeyFHCURRNAUSZZKL-UHFFFAOYSA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)propan-2-ol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)propan-2-ol (CID 79001600) is 2-(5-chlorothiophen-2-yl)propan-2-ol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)propan-2-ol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)propan-2-ol is CC(C)(O)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)propan-2-ol?
The InChIKey is FHCURRNAUSZZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClOS/c1-7(2,9)5-3-4-6(8)10-5/h3-4,9H,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)propan-2-ol?
2-(5-chlorothiophen-2-yl)propan-2-ol has a molecular weight of 176.67 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)propan-2-ol is sourced from PubChem (CID 79001600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).