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

C16H14F2OS — CID 105089674

IUPAC2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
SMILESOC(Cc1cccc(F)c1F)C1Cc2ccccc2S1
InChIInChI=1S/C16H14F2OS/c17-12-6-3-5-11(16(12)18)8-13(19)15-9-10-4-1-2-7-14(10)20-15/h1-7,13,15,19H,8-9H2
InChIKeyGNPYIMKYZRSEMA-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.59
Rot. Bonds3

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

2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol (PubChem CID 105089674) has the molecular formula C16H14F2OS and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
PubChem CID105089674
Molecular FormulaC16H14F2OS
Molecular Weight292.35 g/mol
Exact Mass292.07
IUPAC Name2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
SMILESOC(Cc1cccc(F)c1F)C1Cc2ccccc2S1
InChIInChI=1S/C16H14F2OS/c17-12-6-3-5-11(16(12)18)8-13(19)15-9-10-4-1-2-7-14(10)20-15/h1-7,13,15,19H,8-9H2
InChIKeyGNPYIMKYZRSEMA-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105137669
2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105086657
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 105090430
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol
CID 105108065
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-2-ylethanol
CID 105106044
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 105089082
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084269
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105100901
1-(2,3-dihydro-1-benzothiophen-2-yl)pent-4-yn-1-ol
CID 105098639
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethanol
CID 106601112
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol (CID 105089674) is 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol is OC(Cc1cccc(F)c1F)C1Cc2ccccc2S1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol?
The InChIKey is GNPYIMKYZRSEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2OS/c17-12-6-3-5-11(16(12)18)8-13(19)15-9-10-4-1-2-7-14(10)20-15/h1-7,13,15,19H,8-9H2.
What are the key properties of 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol?
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol has a molecular weight of 292.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 105089674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).