2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol

C16H12ClFOS — CID 65151095

IUPAC2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol
SMILESOC(Cc1csc2ccccc12)c1c(F)cccc1Cl
InChIInChI=1S/C16H12ClFOS/c17-12-5-3-6-13(18)16(12)14(19)8-10-9-20-15-7-2-1-4-11(10)15/h1-7,9,14,19H,8H2
InChIKeyVCTXVXSNTLNKSU-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.97
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol

2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol (PubChem CID 65151095) has the molecular formula C16H12ClFOS and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol
PubChem CID65151095
Molecular FormulaC16H12ClFOS
Molecular Weight306.79 g/mol
Exact Mass306.03
IUPAC Name2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol
SMILESOC(Cc1csc2ccccc12)c1c(F)cccc1Cl
InChIInChI=1S/C16H12ClFOS/c17-12-5-3-6-13(18)16(12)14(19)8-10-9-20-15-7-2-1-4-11(10)15/h1-7,9,14,19H,8H2
InChIKeyVCTXVXSNTLNKSU-UHFFFAOYSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64713790
1-(2-chloro-6-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114851983
2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol
CID 65150174
1-(2-chloro-6-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016942
1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol
CID 65148709
1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 63737420
2-(3-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 82802615
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol
CID 63736721
2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol
CID 63736722
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide
CID 100724722
2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol
CID 65150146

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol (CID 65151095) is 2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol is OC(Cc1csc2ccccc12)c1c(F)cccc1Cl.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol?
The InChIKey is VCTXVXSNTLNKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFOS/c17-12-5-3-6-13(18)16(12)14(19)8-10-9-20-15-7-2-1-4-11(10)15/h1-7,9,14,19H,8H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol?
2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol has a molecular weight of 306.79 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol is sourced from PubChem (CID 65151095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).