(5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol

C13H8BrFO2S — CID 114723305

IUPAC(5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cc(F)ccc2o1)c1ccc(Br)s1
InChIInChI=1S/C13H8BrFO2S/c14-12-4-3-11(18-12)13(16)10-6-7-5-8(15)1-2-9(7)17-10/h1-6,13,16H
InChIKeyWJONMQPVWZNDEO-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.48
Rot. Bonds2

About (5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol

(5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol (PubChem CID 114723305) has the molecular formula C13H8BrFO2S and a molecular weight of 327.17 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
PubChem CID114723305
Molecular FormulaC13H8BrFO2S
Molecular Weight327.17 g/mol
Exact Mass325.94
IUPAC Name(5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cc(F)ccc2o1)c1ccc(Br)s1
InChIInChI=1S/C13H8BrFO2S/c14-12-4-3-11(18-12)13(16)10-6-7-5-8(15)1-2-9(7)17-10/h1-6,13,16H
InChIKeyWJONMQPVWZNDEO-UHFFFAOYSA-N
XLogP4.48
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836630
(5-bromothiophen-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 105129515
N-[(5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 114728748
(4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723341
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
(2-bromo-5-fluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 61081150
(5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836655
(5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79691471
(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836603
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723648
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836356
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 114723636

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol (CID 114723305) is (5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol is OC(c1cc2cc(F)ccc2o1)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The InChIKey is WJONMQPVWZNDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFO2S/c14-12-4-3-11(18-12)13(16)10-6-7-5-8(15)1-2-9(7)17-10/h1-6,13,16H.
What are the key properties of (5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol?
(5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol has a molecular weight of 327.17 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114723305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).