2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol

C16H16BrFOS — CID 115779669

IUPAC2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(F)c(Br)c1)c1cc2c(s1)CCCC2
InChIInChI=1S/C16H16BrFOS/c17-12-7-10(5-6-13(12)18)8-14(19)16-9-11-3-1-2-4-15(11)20-16/h5-7,9,14,19H,1-4,8H2
InChIKeyCPQPDDOXSWYTHS-UHFFFAOYSA-N
MW355.27 g/mol
LogP4.80
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol

2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol (PubChem CID 115779669) has the molecular formula C16H16BrFOS and a molecular weight of 355.27 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
PubChem CID115779669
Molecular FormulaC16H16BrFOS
Molecular Weight355.27 g/mol
Exact Mass354.01
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(F)c(Br)c1)c1cc2c(s1)CCCC2
InChIInChI=1S/C16H16BrFOS/c17-12-7-10(5-6-13(12)18)8-14(19)16-9-11-3-1-2-4-15(11)20-16/h5-7,9,14,19H,1-4,8H2
InChIKeyCPQPDDOXSWYTHS-UHFFFAOYSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol with MolForge

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115779710
2-(4-bromophenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
CID 63518430
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 55150651
2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 115788325
2-(3,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 114980354
2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 115801375
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methoxyphenyl)ethanol
CID 63016022
2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
CID 63016751
N-[(3-bromo-4-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 79722120
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-thiophen-3-ylethanol
CID 63016158
(1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol
CID 96777587
2-(4-nitrophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 63016009

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol (CID 115779669) is 2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol is OC(Cc1ccc(F)c(Br)c1)c1cc2c(s1)CCCC2.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
The InChIKey is CPQPDDOXSWYTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFOS/c17-12-7-10(5-6-13(12)18)8-14(19)16-9-11-3-1-2-4-15(11)20-16/h5-7,9,14,19H,1-4,8H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol has a molecular weight of 355.27 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 115779669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).