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

C16H12ClFOS — CID 64713790

IUPAC2-(1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)ethanol
SMILESOC(Cc1csc2ccccc12)c1cccc(Cl)c1F
InChIInChI=1S/C16H12ClFOS/c17-13-6-3-5-12(16(13)18)14(19)8-10-9-20-15-7-2-1-4-11(10)15/h1-7,9,14,19H,8H2
InChIKeyKCVHISFUNQELKG-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.97
Rot. Bonds3

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

2-(1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)ethanol (PubChem CID 64713790) has the molecular formula C16H12ClFOS and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)ethanol
PubChem CID64713790
Molecular FormulaC16H12ClFOS
Molecular Weight306.79 g/mol
Exact Mass306.03
IUPAC Name2-(1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)ethanol
SMILESOC(Cc1csc2ccccc12)c1cccc(Cl)c1F
InChIInChI=1S/C16H12ClFOS/c17-13-6-3-5-12(16(13)18)14(19)8-10-9-20-15-7-2-1-4-11(10)15/h1-7,9,14,19H,8H2
InChIKeyKCVHISFUNQELKG-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

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CID 65151095
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CID 63736722
2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol
CID 65150146
1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol
CID 65148709
1-(3-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047803
2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol
CID 65150174
1-(2-amino-3-methoxyphenyl)-2-(1-benzothiophen-3-yl)ethanol
CID 107469527
1-(3-chloro-2-fluorophenyl)-2-thiophen-2-ylethanol
CID 64713103
2-(4-bromothiophen-2-yl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712259
2-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)ethanol
CID 82802842
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 64712609
1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 63737420

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)ethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)ethanol (CID 64713790) is 2-(1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)ethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)ethanol is OC(Cc1csc2ccccc12)c1cccc(Cl)c1F.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)ethanol?
The InChIKey is KCVHISFUNQELKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFOS/c17-13-6-3-5-12(16(13)18)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-(3-chloro-2-fluorophenyl)ethanol?
2-(1-benzothiophen-3-yl)-1-(3-chloro-2-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-(3-chloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 64713790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).