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

C15H12BrFOS — CID 105113739

IUPAC(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cc(Br)ccc1F)C1Cc2ccccc2S1
InChIInChI=1S/C15H12BrFOS/c16-10-5-6-12(17)11(8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-6,8,14-15,18H,7H2
InChIKeyKSBPIXZEIPYQBL-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.34
Rot. Bonds2

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

(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol (PubChem CID 105113739) has the molecular formula C15H12BrFOS and a molecular weight of 339.23 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
PubChem CID105113739
Molecular FormulaC15H12BrFOS
Molecular Weight339.23 g/mol
Exact Mass337.98
IUPAC Name(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cc(Br)ccc1F)C1Cc2ccccc2S1
InChIInChI=1S/C15H12BrFOS/c16-10-5-6-12(17)11(8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-6,8,14-15,18H,7H2
InChIKeyKSBPIXZEIPYQBL-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105086657
2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol
CID 105093619
2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol
CID 105091980
(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 105145502
2,3-dihydro-1-benzothiophen-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146408
2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105111246
2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol
CID 105129629
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 112725710
(5-bromo-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methanol
CID 107005403
[(4-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105328374
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
CID 103053312
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105089674

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol (CID 105113739) is (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol is OC(c1cc(Br)ccc1F)C1Cc2ccccc2S1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol?
The InChIKey is KSBPIXZEIPYQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFOS/c16-10-5-6-12(17)11(8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-6,8,14-15,18H,7H2.
What are the key properties of (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol?
(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol has a molecular weight of 339.23 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 105113739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).