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

C16H14BrFOS — CID 105086657

IUPAC2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
SMILESOC(Cc1cc(Br)ccc1F)C1Cc2ccccc2S1
InChIInChI=1S/C16H14BrFOS/c17-12-5-6-13(18)11(7-12)8-14(19)16-9-10-3-1-2-4-15(10)20-16/h1-7,14,16,19H,8-9H2
InChIKeyYIILDPYQRUBZPX-UHFFFAOYSA-N
MW353.26 g/mol
LogP4.21
Rot. Bonds3

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

2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol (PubChem CID 105086657) has the molecular formula C16H14BrFOS and a molecular weight of 353.26 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
PubChem CID105086657
Molecular FormulaC16H14BrFOS
Molecular Weight353.26 g/mol
Exact Mass351.99
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
SMILESOC(Cc1cc(Br)ccc1F)C1Cc2ccccc2S1
InChIInChI=1S/C16H14BrFOS/c17-12-5-6-13(18)11(7-12)8-14(19)16-9-10-3-1-2-4-15(10)20-16/h1-7,14,16,19H,8-9H2
InChIKeyYIILDPYQRUBZPX-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)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

2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105089674
(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105113739
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
CID 103053312
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 112725710
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol
CID 105108065
2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105111246
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
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 65148571
2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105100901
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 103048252
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol (CID 105086657) is 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol is OC(Cc1cc(Br)ccc1F)C1Cc2ccccc2S1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol?
The InChIKey is YIILDPYQRUBZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFOS/c17-12-5-6-13(18)11(7-12)8-14(19)16-9-10-3-1-2-4-15(10)20-16/h1-7,14,16,19H,8-9H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol?
2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol has a molecular weight of 353.26 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 105086657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).