2-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanol

C10H11ClOS — CID 117198529

IUPAC2-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanol
SMILESOCCC1Cc2c(Cl)cccc2S1
InChIInChI=1S/C10H11ClOS/c11-9-2-1-3-10-8(9)6-7(13-10)4-5-12/h1-3,7,12H,4-6H2
InChIKeyKWRRQHYJTBSEEE-UHFFFAOYSA-N
MW214.72 g/mol
LogP2.74
Rot. Bonds2

About 2-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanol

2-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanol (PubChem CID 117198529) has the molecular formula C10H11ClOS and a molecular weight of 214.72 g/mol. Its IUPAC name is 2-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanol
PubChem CID117198529
Molecular FormulaC10H11ClOS
Molecular Weight214.72 g/mol
Exact Mass214.02
IUPAC Name2-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanol
SMILESOCCC1Cc2c(Cl)cccc2S1
InChIInChI=1S/C10H11ClOS/c11-9-2-1-3-10-8(9)6-7(13-10)4-5-12/h1-3,7,12H,4-6H2
InChIKeyKWRRQHYJTBSEEE-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanol (CID 117198529) is 2-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanol is OCCC1Cc2c(Cl)cccc2S1.
What is the InChIKey of 2-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanol?
The InChIKey is KWRRQHYJTBSEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClOS/c11-9-2-1-3-10-8(9)6-7(13-10)4-5-12/h1-3,7,12H,4-6H2.
What are the key properties of 2-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanol?
2-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanol has a molecular weight of 214.72 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 117198529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).