(5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol

C15H9BrClFO2 — CID 115836655

IUPAC(5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cc(F)ccc2o1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H9BrClFO2/c16-9-1-3-12(17)11(7-9)15(19)14-6-8-5-10(18)2-4-13(8)20-14/h1-7,15,19H
InChIKeyXGCHMZCODCWELT-UHFFFAOYSA-N
MW355.59 g/mol
LogP5.07
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol

(5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol (PubChem CID 115836655) has the molecular formula C15H9BrClFO2 and a molecular weight of 355.59 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
PubChem CID115836655
Molecular FormulaC15H9BrClFO2
Molecular Weight355.59 g/mol
Exact Mass353.95
IUPAC Name(5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cc(F)ccc2o1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H9BrClFO2/c16-9-1-3-12(17)11(7-9)15(19)14-6-8-5-10(18)2-4-13(8)20-14/h1-7,15,19H
InChIKeyXGCHMZCODCWELT-UHFFFAOYSA-N
XLogP5.07
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.59
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202
(4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723341
(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61087673
[(2,5-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105338683
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723648
(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836603
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836356
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 114726426
(5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723305
(5-bromothiophen-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 105129515
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727129

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol (CID 115836655) is (5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol is OC(c1cc2cc(F)ccc2o1)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The InChIKey is XGCHMZCODCWELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFO2/c16-9-1-3-12(17)11(7-9)15(19)14-6-8-5-10(18)2-4-13(8)20-14/h1-7,15,19H.
What are the key properties of (5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
(5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol has a molecular weight of 355.59 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 115836655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).