(5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol

C14H10BrFO2S — CID 115836630

IUPAC(5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESCc1cc(C(O)c2cc3cc(F)ccc3o2)sc1Br
InChIInChI=1S/C14H10BrFO2S/c1-7-4-12(19-14(7)15)13(17)11-6-8-5-9(16)2-3-10(8)18-11/h2-6,13,17H,1H3
InChIKeyZXRNOZZDIIZKPP-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.79
Rot. Bonds2

About (5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol

(5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol (PubChem CID 115836630) has the molecular formula C14H10BrFO2S and a molecular weight of 341.20 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
PubChem CID115836630
Molecular FormulaC14H10BrFO2S
Molecular Weight341.20 g/mol
Exact Mass339.96
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESCc1cc(C(O)c2cc3cc(F)ccc3o2)sc1Br
InChIInChI=1S/C14H10BrFO2S/c1-7-4-12(19-14(7)15)13(17)11-6-8-5-9(16)2-3-10(8)18-11/h2-6,13,17H,1H3
InChIKeyZXRNOZZDIIZKPP-UHFFFAOYSA-N
XLogP4.79
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723305
(4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723341
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 114723636
(5-bromothiophen-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 105129515
(4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 102829575
(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-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726422
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
(5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836655
(1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114724197
(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol
CID 114724539

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol (CID 115836630) is (5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol is Cc1cc(C(O)c2cc3cc(F)ccc3o2)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The InChIKey is ZXRNOZZDIIZKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO2S/c1-7-4-12(19-14(7)15)13(17)11-6-8-5-9(16)2-3-10(8)18-11/h2-6,13,17H,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
(5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol has a molecular weight of 341.20 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 115836630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).