1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol

C16H12F2OS — CID 65148709

IUPAC1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1F)c1csc2ccccc12
InChIInChI=1S/C16H12F2OS/c17-13-6-3-4-10(16(13)18)8-14(19)12-9-20-15-7-2-1-5-11(12)15/h1-7,9,14,19H,8H2
InChIKeyAJWLIFZOJJQMSC-UHFFFAOYSA-N
MW290.33 g/mol
LogP4.46
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol

1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol (PubChem CID 65148709) has the molecular formula C16H12F2OS and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol
PubChem CID65148709
Molecular FormulaC16H12F2OS
Molecular Weight290.33 g/mol
Exact Mass290.06
IUPAC Name1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1F)c1csc2ccccc12
InChIInChI=1S/C16H12F2OS/c17-13-6-3-4-10(16(13)18)8-14(19)12-9-20-15-7-2-1-5-11(12)15/h1-7,9,14,19H,8H2
InChIKeyAJWLIFZOJJQMSC-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
2-(1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64713790
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzamide
CID 100724458
1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine
CID 55101865
2-(1-benzothiophen-3-yl)-1-(2-chloro-6-fluorophenyl)ethanol
CID 65151095
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
CID 100725327
2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol
CID 65150146
1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823876
1-(1-benzothiophen-3-yl)-3-sulfanylpropan-1-ol
CID 116831065
(3S)-3-(1-benzothiophen-3-yl)-3-hydroxypropanoic acid
CID 94550405
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
3-(1-benzothiophen-3-yl)-3-hydroxypropanal
CID 114795243

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol (CID 65148709) is 1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol is OC(Cc1cccc(F)c1F)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol?
The InChIKey is AJWLIFZOJJQMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2OS/c17-13-6-3-4-10(16(13)18)8-14(19)12-9-20-15-7-2-1-5-11(12)15/h1-7,9,14,19H,8H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol?
1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol has a molecular weight of 290.33 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-(2,3-difluorophenyl)ethanol is sourced from PubChem (CID 65148709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).