2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol

C14H11ClOS2 — CID 65150174

IUPAC2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1csc2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C14H11ClOS2/c15-14-6-5-13(18-14)11(16)7-9-8-17-12-4-2-1-3-10(9)12/h1-6,8,11,16H,7H2
InChIKeyBHDRNWFQFVIBSY-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.89
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol

2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol (PubChem CID 65150174) has the molecular formula C14H11ClOS2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol
PubChem CID65150174
Molecular FormulaC14H11ClOS2
Molecular Weight294.83 g/mol
Exact Mass293.99
IUPAC Name2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1csc2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C14H11ClOS2/c15-14-6-5-13(18-14)11(16)7-9-8-17-12-4-2-1-3-10(9)12/h1-6,8,11,16H,7H2
InChIKeyBHDRNWFQFVIBSY-UHFFFAOYSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol (CID 65150174) is 2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol is OC(Cc1csc2ccccc12)c1ccc(Cl)s1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol?
The InChIKey is BHDRNWFQFVIBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClOS2/c15-14-6-5-13(18-14)11(16)7-9-8-17-12-4-2-1-3-10(9)12/h1-6,8,11,16H,7H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol?
2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol has a molecular weight of 294.83 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 65150174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).