(2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol

C15H9Br2FO2 — CID 107947837

IUPAC(2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cccc(F)c2o1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H9Br2FO2/c16-9-4-5-10(11(17)7-9)14(19)13-6-8-2-1-3-12(18)15(8)20-13/h1-7,14,19H
InChIKeyIUKOIBFHCMRKCL-UHFFFAOYSA-N
MW400.04 g/mol
LogP5.18
Rot. Bonds2

About (2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol

(2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol (PubChem CID 107947837) has the molecular formula C15H9Br2FO2 and a molecular weight of 400.04 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
PubChem CID107947837
Molecular FormulaC15H9Br2FO2
Molecular Weight400.04 g/mol
Exact Mass397.90
IUPAC Name(2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cccc(F)c2o1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H9Br2FO2/c16-9-4-5-10(11(17)7-9)14(19)13-6-8-2-1-3-12(18)15(8)20-13/h1-7,14,19H
InChIKeyIUKOIBFHCMRKCL-UHFFFAOYSA-N
XLogP5.18
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.04
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726486
(2-amino-4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114726577
(7-fluoro-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanol
CID 115836932
1-benzofuran-2-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114723565
(5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 115837002
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanol
CID 114723330
(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol
CID 115837553
(7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 105093821
(7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol
CID 115836962
1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047461
(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 114723604
(2-bromo-5-fluorophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 115837557

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
The IUPAC name of (2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol (CID 107947837) is (2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol is OC(c1cc2cccc(F)c2o1)c1ccc(Br)cc1Br.
What is the InChIKey of (2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
The InChIKey is IUKOIBFHCMRKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2FO2/c16-9-4-5-10(11(17)7-9)14(19)13-6-8-2-1-3-12(18)15(8)20-13/h1-7,14,19H.
What are the key properties of (2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol?
(2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol has a molecular weight of 400.04 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 107947837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).