(7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol

C17H14BrFO2 — CID 106884122

IUPAC(7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cc3cccc(Br)c3o2)c(F)c1
InChIInChI=1S/C17H14BrFO2/c1-9-6-10(2)15(13(19)7-9)16(20)14-8-11-4-3-5-12(18)17(11)21-14/h3-8,16,20H,1-2H3
InChIKeyPEPKHRRETMULFH-UHFFFAOYSA-N
MW349.20 g/mol
LogP5.03
Rot. Bonds2

About (7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol

(7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol (PubChem CID 106884122) has the molecular formula C17H14BrFO2 and a molecular weight of 349.20 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol
PubChem CID106884122
Molecular FormulaC17H14BrFO2
Molecular Weight349.20 g/mol
Exact Mass348.02
IUPAC Name(7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cc3cccc(Br)c3o2)c(F)c1
InChIInChI=1S/C17H14BrFO2/c1-9-6-10(2)15(13(19)7-9)16(20)14-8-11-4-3-5-12(18)17(11)21-14/h3-8,16,20H,1-2H3
InChIKeyPEPKHRRETMULFH-UHFFFAOYSA-N
XLogP5.03
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.20
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol
CID 106945078
(7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 105093821
(2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 106884110
1-(7-bromo-1-benzofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 105079611
(7-fluoro-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanol
CID 115836932
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122296
1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438582
(3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723638
1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol
CID 114885782
1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078052
(2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 106884178
(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115836437

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol (CID 106884122) is (7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol is Cc1cc(C)c(C(O)c2cc3cccc(Br)c3o2)c(F)c1.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol?
The InChIKey is PEPKHRRETMULFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFO2/c1-9-6-10(2)15(13(19)7-9)16(20)14-8-11-4-3-5-12(18)17(11)21-14/h3-8,16,20H,1-2H3.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol?
(7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol has a molecular weight of 349.20 g/mol, XLogP of 5.03, 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)-(2-fluoro-4,6-dimethylphenyl)methanol is sourced from PubChem (CID 106884122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).