1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol

C15H10BrFOS — CID 106644382

IUPAC1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol
SMILESOC(c1cccc(Br)c1F)c1csc2ccccc12
InChIInChI=1S/C15H10BrFOS/c16-12-6-3-5-10(14(12)17)15(18)11-8-19-13-7-2-1-4-9(11)13/h1-8,15,18H
InChIKeyGEGIQSNFDDJGMC-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.88
Rot. Bonds2

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

1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol (PubChem CID 106644382) has the molecular formula C15H10BrFOS and a molecular weight of 337.21 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol
PubChem CID106644382
Molecular FormulaC15H10BrFOS
Molecular Weight337.21 g/mol
Exact Mass335.96
IUPAC Name1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol
SMILESOC(c1cccc(Br)c1F)c1csc2ccccc12
InChIInChI=1S/C15H10BrFOS/c16-12-6-3-5-10(14(12)17)15(18)11-8-19-13-7-2-1-4-9(11)13/h1-8,15,18H
InChIKeyGEGIQSNFDDJGMC-UHFFFAOYSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine
CID 106649802
(7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol
CID 81153735
1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol
CID 61088560
1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol
CID 61088373
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(R)-1-benzothiophen-3-yl(phenyl)methanol
CID 101489601
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
1-benzothiophen-3-yl(quinolin-5-yl)methanol
CID 78917707
(3-bromo-2-fluorophenyl)-isoquinolin-4-ylmethanol
CID 106644574
(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol
CID 106644525
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358
(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol
CID 107955792

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol?
The IUPAC name of 1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol (CID 106644382) is 1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol is OC(c1cccc(Br)c1F)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol?
The InChIKey is GEGIQSNFDDJGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFOS/c16-12-6-3-5-10(14(12)17)15(18)11-8-19-13-7-2-1-4-9(11)13/h1-8,15,18H.
What are the key properties of 1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol?
1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol has a molecular weight of 337.21 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol is sourced from PubChem (CID 106644382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).