1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol

C15H10BrFOS — CID 61088373

IUPAC1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol
SMILESOC(c1cc(F)cc(Br)c1)c1csc2ccccc12
InChIInChI=1S/C15H10BrFOS/c16-10-5-9(6-11(17)7-10)15(18)13-8-19-14-4-2-1-3-12(13)14/h1-8,15,18H
InChIKeyGTENCECRSZCMFW-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.88
Rot. Bonds2

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

1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol (PubChem CID 61088373) has the molecular formula C15H10BrFOS and a molecular weight of 337.21 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol
PubChem CID61088373
Molecular FormulaC15H10BrFOS
Molecular Weight337.21 g/mol
Exact Mass335.96
IUPAC Name1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol
SMILESOC(c1cc(F)cc(Br)c1)c1csc2ccccc12
InChIInChI=1S/C15H10BrFOS/c16-10-5-9(6-11(17)7-10)15(18)13-8-19-14-4-2-1-3-12(13)14/h1-8,15,18H
InChIKeyGTENCECRSZCMFW-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

(R)-1-benzothiophen-3-yl(phenyl)methanol
CID 101489601
(3-bromo-5-fluorophenyl)-isoquinolin-4-ylmethanol
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1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol
CID 106644382
1-benzothiophen-3-yl-(4-methylphenyl)methanol
CID 61088943
1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 61087821
1-benzothiophen-3-yl-(3-bromo-4-methoxyphenyl)methanol
CID 61088025
1-benzothiophen-7-yl-(3-bromo-5-fluorophenyl)methanol
CID 81154206
(3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol
CID 61101647
1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol
CID 63426745
3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol
CID 65188133
1-benzothiophen-3-yl(pyridin-3-yl)methanol
CID 61087457
3-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene
CID 63441628

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol?
The IUPAC name of 1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol (CID 61088373) is 1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol is OC(c1cc(F)cc(Br)c1)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol?
The InChIKey is GTENCECRSZCMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFOS/c16-10-5-9(6-11(17)7-10)15(18)13-8-19-14-4-2-1-3-12(13)14/h1-8,15,18H.
What are the key properties of 1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol?
1-benzothiophen-3-yl-(3-bromo-5-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-5-fluorophenyl)methanol is sourced from PubChem (CID 61088373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).