2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol

C16H14ClFOS — CID 103053466

IUPAC2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
SMILESOC(Cc1cc(Cl)ccc1F)C1CSc2ccccc21
InChIInChI=1S/C16H14ClFOS/c17-11-5-6-14(18)10(7-11)8-15(19)13-9-20-16-4-2-1-3-12(13)16/h1-7,13,15,19H,8-9H2
InChIKeyGXMVWQHAIBLEKD-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.27
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol

2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol (PubChem CID 103053466) has the molecular formula C16H14ClFOS and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
PubChem CID103053466
Molecular FormulaC16H14ClFOS
Molecular Weight308.81 g/mol
Exact Mass308.04
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
SMILESOC(Cc1cc(Cl)ccc1F)C1CSc2ccccc21
InChIInChI=1S/C16H14ClFOS/c17-11-5-6-14(18)10(7-11)8-15(19)13-9-20-16-4-2-1-3-12(13)16/h1-7,13,15,19H,8-9H2
InChIKeyGXMVWQHAIBLEKD-UHFFFAOYSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 105086826
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 105083639
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-fluorophenyl)ethanamine
CID 105090261
(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105096407
2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 105077495
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 103048252
(2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105397717
2,3-dihydro-1-benzothiophen-3-yl-(4-fluoro-3-methylphenyl)methanol
CID 105094086
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 105107477
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethylethanamine
CID 105085901
[2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]hydrazine
CID 102868730
2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 103053363

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol (CID 103053466) is 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol is OC(Cc1cc(Cl)ccc1F)C1CSc2ccccc21.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol?
The InChIKey is GXMVWQHAIBLEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFOS/c17-11-5-6-14(18)10(7-11)8-15(19)13-9-20-16-4-2-1-3-12(13)16/h1-7,13,15,19H,8-9H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol?
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol has a molecular weight of 308.81 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol is sourced from PubChem (CID 103053466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).