(7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol

C16H12BrFO2 — CID 105093821

IUPAC(7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H12BrFO2/c1-9-7-11(18)5-6-12(9)15(19)14-8-10-3-2-4-13(17)16(10)20-14/h2-8,15,19H,1H3
InChIKeyUQDXPRGFHLEJMP-UHFFFAOYSA-N
MW335.17 g/mol
LogP4.72
Rot. Bonds2

About (7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol

(7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol (PubChem CID 105093821) has the molecular formula C16H12BrFO2 and a molecular weight of 335.17 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
PubChem CID105093821
Molecular FormulaC16H12BrFO2
Molecular Weight335.17 g/mol
Exact Mass334.00
IUPAC Name(7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H12BrFO2/c1-9-7-11(18)5-6-12(9)15(19)14-8-10-3-2-4-13(17)16(10)20-14/h2-8,15,19H,1H3
InChIKeyUQDXPRGFHLEJMP-UHFFFAOYSA-N
XLogP4.72
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122296
(7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884122
1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142543
(2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 115837557
(2-amino-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727209
(2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107947837
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
(2-bromo-5-fluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794207
(7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol
CID 106945078
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726486
1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol
CID 105083427
1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078052

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol (CID 105093821) is (7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol is Cc1cc(F)ccc1C(O)c1cc2cccc(Br)c2o1.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol?
The InChIKey is UQDXPRGFHLEJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFO2/c1-9-7-11(18)5-6-12(9)15(19)14-8-10-3-2-4-13(17)16(10)20-14/h2-8,15,19H,1H3.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol?
(7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol has a molecular weight of 335.17 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 105093821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).