(7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol

C15H9BrF2OS — CID 81153735

IUPAC(7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol
SMILESOC(c1cccc(F)c1F)c1csc2c(Br)cccc12
InChIInChI=1S/C15H9BrF2OS/c16-11-5-1-3-8-10(7-20-15(8)11)14(19)9-4-2-6-12(17)13(9)18/h1-7,14,19H
InChIKeyRZMCMISXRHPBPZ-UHFFFAOYSA-N
MW355.20 g/mol
LogP5.02
Rot. Bonds2

About (7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol

(7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol (PubChem CID 81153735) has the molecular formula C15H9BrF2OS and a molecular weight of 355.20 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol
PubChem CID81153735
Molecular FormulaC15H9BrF2OS
Molecular Weight355.20 g/mol
Exact Mass353.95
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol
SMILESOC(c1cccc(F)c1F)c1csc2c(Br)cccc12
InChIInChI=1S/C15H9BrF2OS/c16-11-5-1-3-8-10(7-20-15(8)11)14(19)9-4-2-6-12(17)13(9)18/h1-7,14,19H
InChIKeyRZMCMISXRHPBPZ-UHFFFAOYSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.20
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
CID 81128771
(7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol
CID 81154055
(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol
CID 81153432
(7-bromo-1-benzothiophen-3-yl)-(2-iodophenyl)methanol
CID 81153133
7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene
CID 81147103
(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol
CID 81128494
(7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol
CID 81153527
1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methanol
CID 106644382
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098916
(7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol
CID 81153521
7-bromo-3-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-benzothiophene
CID 81477216
(7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol
CID 81153234

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol (CID 81153735) is (7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol is OC(c1cccc(F)c1F)c1csc2c(Br)cccc12.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol?
The InChIKey is RZMCMISXRHPBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2OS/c16-11-5-1-3-8-10(7-20-15(8)11)14(19)9-4-2-6-12(17)13(9)18/h1-7,14,19H.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol?
(7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol has a molecular weight of 355.20 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol is sourced from PubChem (CID 81153735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).