2-(6-chloro-1-benzothiophen-5-yl)ethanol

C10H9ClOS — CID 22666357

IUPAC2-(6-chloro-1-benzothiophen-5-yl)ethanol
SMILESOCCc1cc2ccsc2cc1Cl
InChIInChI=1S/C10H9ClOS/c11-9-6-10-8(2-4-13-10)5-7(9)1-3-12/h2,4-6,12H,1,3H2
InChIKeyQYJRFHNCWAJJEK-UHFFFAOYSA-N
MW212.70 g/mol
LogP3.09
Rot. Bonds2

About 2-(6-chloro-1-benzothiophen-5-yl)ethanol

2-(6-chloro-1-benzothiophen-5-yl)ethanol (PubChem CID 22666357) has the molecular formula C10H9ClOS and a molecular weight of 212.70 g/mol. Its IUPAC name is 2-(6-chloro-1-benzothiophen-5-yl)ethanol.

Molecular Properties

Compound Name2-(6-chloro-1-benzothiophen-5-yl)ethanol
PubChem CID22666357
Molecular FormulaC10H9ClOS
Molecular Weight212.70 g/mol
Exact Mass212.01
IUPAC Name2-(6-chloro-1-benzothiophen-5-yl)ethanol
SMILESOCCc1cc2ccsc2cc1Cl
InChIInChI=1S/C10H9ClOS/c11-9-6-10-8(2-4-13-10)5-7(9)1-3-12/h2,4-6,12H,1,3H2
InChIKeyQYJRFHNCWAJJEK-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Benzothiophen-5-yl)ethan-1-ol
CID 11983371
2-(6-Fluoro-1-benzothiophen-5-yl)ethanol
CID 17824522
2-(4-Fluoro-1-benzothiophen-5-yl)ethanol
CID 22666332
(3,4-Dichloro-1-benzothien-2-yl)methanol
CID 821743
1-(1-Benzothiophen-3-yl)-3-(2-chloro-6-fluorophenyl)propan-2-ol
CID 63738114
1-(1-Benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-ol
CID 63738115
(4-Chloro-2-fluoro-1-benzothiophen-5-yl)methanol
CID 130805941
(4-Chloro-7-fluoro-1-benzothiophen-5-yl)methanol
CID 130805942
(4-Chloro-6-fluoro-1-benzothiophen-3-yl)methanol
CID 130865404
(6-Chloro-7-fluoro-1-benzothiophen-5-yl)methanol
CID 130898501
(6-Chloro-4-fluoro-1-benzothiophen-3-yl)methanol
CID 130914519
(6-Chloro-4-fluoro-1-benzothiophen-7-yl)methanol
CID 130914520

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-benzothiophen-5-yl)ethanol?
The IUPAC name of 2-(6-chloro-1-benzothiophen-5-yl)ethanol (CID 22666357) is 2-(6-chloro-1-benzothiophen-5-yl)ethanol.
What is the SMILES notation for 2-(6-chloro-1-benzothiophen-5-yl)ethanol?
The canonical SMILES for 2-(6-chloro-1-benzothiophen-5-yl)ethanol is OCCc1cc2ccsc2cc1Cl.
What is the InChIKey of 2-(6-chloro-1-benzothiophen-5-yl)ethanol?
The InChIKey is QYJRFHNCWAJJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClOS/c11-9-6-10-8(2-4-13-10)5-7(9)1-3-12/h2,4-6,12H,1,3H2.
What are the key properties of 2-(6-chloro-1-benzothiophen-5-yl)ethanol?
2-(6-chloro-1-benzothiophen-5-yl)ethanol has a molecular weight of 212.70 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-benzothiophen-5-yl)ethanol is sourced from PubChem (CID 22666357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).