1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol

C16H11BrF2O2 — CID 105083427

IUPAC1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1F)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H11BrF2O2/c17-12-3-1-2-10-7-15(21-16(10)12)14(20)6-9-4-5-11(18)8-13(9)19/h1-5,7-8,14,20H,6H2
InChIKeyANDMBCWXACIRCC-UHFFFAOYSA-N
MW353.16 g/mol
LogP4.75
Rot. Bonds3

About 1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol

1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol (PubChem CID 105083427) has the molecular formula C16H11BrF2O2 and a molecular weight of 353.16 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol
PubChem CID105083427
Molecular FormulaC16H11BrF2O2
Molecular Weight353.16 g/mol
Exact Mass351.99
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1F)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H11BrF2O2/c17-12-3-1-2-10-7-15(21-16(10)12)14(20)6-9-4-5-11(18)8-13(9)19/h1-5,7-8,14,20H,6H2
InChIKeyANDMBCWXACIRCC-UHFFFAOYSA-N
XLogP4.75
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 105124079
1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078052
1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 105115438
1-(7-bromo-1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)ethanol
CID 105126626
1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol
CID 106645063
1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 105100365
1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894433
2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 114728807
1-(7-bromo-1-benzofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 105079611
1-(2,4-dibromophenyl)-2-(2,4-difluorophenyl)ethanol
CID 107947331
(7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 105093821
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 107983845

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol (CID 105083427) is 1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol is OC(Cc1ccc(F)cc1F)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol?
The InChIKey is ANDMBCWXACIRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF2O2/c17-12-3-1-2-10-7-15(21-16(10)12)14(20)6-9-4-5-11(18)8-13(9)19/h1-5,7-8,14,20H,6H2.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol?
1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol has a molecular weight of 353.16 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 105083427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).