1-(5-chlorothiophen-2-yl)ethanol

C6H7ClOS — CID 15361441

IUPAC1-(5-chlorothiophen-2-yl)ethanol
SMILESCC(O)c1ccc(Cl)s1
InChIInChI=1S/C6H7ClOS/c1-4(8)5-2-3-6(7)9-5/h2-4,8H,1H3
InChIKeyWPAVSEJRMIJWQN-UHFFFAOYSA-N
MW162.64 g/mol
LogP2.45
Rot. Bonds1

About 1-(5-chlorothiophen-2-yl)ethanol

1-(5-chlorothiophen-2-yl)ethanol (PubChem CID 15361441) has the molecular formula C6H7ClOS and a molecular weight of 162.64 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)ethanol
PubChem CID15361441
Molecular FormulaC6H7ClOS
Molecular Weight162.64 g/mol
Exact Mass161.99
IUPAC Name1-(5-chlorothiophen-2-yl)ethanol
SMILESCC(O)c1ccc(Cl)s1
InChIInChI=1S/C6H7ClOS/c1-4(8)5-2-3-6(7)9-5/h2-4,8H,1H3
InChIKeyWPAVSEJRMIJWQN-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.64
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)ethanol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)ethanol (CID 15361441) is 1-(5-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)ethanol is CC(O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)ethanol?
The InChIKey is WPAVSEJRMIJWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClOS/c1-4(8)5-2-3-6(7)9-5/h2-4,8H,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)ethanol?
1-(5-chlorothiophen-2-yl)ethanol has a molecular weight of 162.64 g/mol, XLogP of 2.45, 1 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)ethanol is sourced from PubChem (CID 15361441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).