1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanol

C15H10BrFOS — CID 59281673

IUPAC1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanol
SMILESOC(c1cc2ccccc2s1)c1cc(Br)ccc1F
InChIInChI=1S/C15H10BrFOS/c16-10-5-6-12(17)11(8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-8,15,18H
InChIKeyBUUJMMYEBTVSHQ-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.88
Rot. Bonds2

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

1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanol (PubChem CID 59281673) has the molecular formula C15H10BrFOS and a molecular weight of 337.21 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanol
PubChem CID59281673
Molecular FormulaC15H10BrFOS
Molecular Weight337.21 g/mol
Exact Mass335.96
IUPAC Name1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanol
SMILESOC(c1cc2ccccc2s1)c1cc(Br)ccc1F
InChIInChI=1S/C15H10BrFOS/c16-10-5-6-12(17)11(8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-8,15,18H
InChIKeyBUUJMMYEBTVSHQ-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

(6-Bromo-1-benzothiophen-2-yl)methanol
CID 13567983
(7-Bromo-1-benzothiophen-2-yl)methanol
CID 53396438
(S)-1-benzothiophen-3-yl-(4-fluorophenyl)methanol
CID 134965046
1-(1-Benzothiophen-2-yl)-2-bromoethan-1-ol
CID 130171136
(5-Bromo-thiophen-2-yl)-(3-fluoro-phenyl)-methanol
CID 9817365
[1-Benzothien-2-yl(5-bromo-2-fluorophenyl)methoxy](tert-butyl)dimethylsilane
CID 18450453
(4-Bromothiophen-2-yl)-(3-fluorophenyl)methanol
CID 21183834
(5-Bromo-2-thienyl)(4-fluorophenyl)methanol
CID 49962861
[1-Benzothiophen-2-yl-(3-bromo-4-fluorophenyl)methoxy]-tert-butyl-dimethylsilane
CID 58843564
1-Benzothiophen-2-yl-(2-fluorophenyl)methanol
CID 59281670
1-(5-Fluoro-1-benzothiophen-3-yl)ethanol
CID 59987049
(4-Bromo-naphthalen-2-yl)-(5-fluorobenzo[b]-thiophen-2-yl)methanol
CID 67156712

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanol?
The IUPAC name of 1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanol (CID 59281673) is 1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanol.
What is the SMILES notation for 1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanol?
The canonical SMILES for 1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanol is OC(c1cc2ccccc2s1)c1cc(Br)ccc1F.
What is the InChIKey of 1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanol?
The InChIKey is BUUJMMYEBTVSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFOS/c16-10-5-6-12(17)11(8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-8,15,18H.
What are the key properties of 1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanol?
1-benzothiophen-2-yl-(5-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-2-yl-(5-bromo-2-fluorophenyl)methanol is sourced from PubChem (CID 59281673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).