1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol

C16H11Br2FO2 — CID 105115438

IUPAC1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H11Br2FO2/c17-11-4-9(5-12(19)8-11)6-14(20)15-7-10-2-1-3-13(18)16(10)21-15/h1-5,7-8,14,20H,6H2
InChIKeyIXCINVINTSMCKI-UHFFFAOYSA-N
MW414.07 g/mol
LogP5.37
Rot. Bonds3

About 1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol

1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol (PubChem CID 105115438) has the molecular formula C16H11Br2FO2 and a molecular weight of 414.07 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol
PubChem CID105115438
Molecular FormulaC16H11Br2FO2
Molecular Weight414.07 g/mol
Exact Mass411.91
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H11Br2FO2/c17-11-4-9(5-12(19)8-11)6-14(20)15-7-10-2-1-3-13(18)16(10)21-15/h1-5,7-8,14,20H,6H2
InChIKeyIXCINVINTSMCKI-UHFFFAOYSA-N
XLogP5.37
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.07
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 105079611
1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol
CID 105083427
1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894433
1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078052
1-(7-bromo-1-benzofuran-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 105124079
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822735
1-(7-bromo-1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)ethanol
CID 105126626
1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 105100365
1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol
CID 105122499
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822786
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol
CID 79702768
1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol
CID 105098554

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol (CID 105115438) is 1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol is OC(Cc1cc(F)cc(Br)c1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol?
The InChIKey is IXCINVINTSMCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2FO2/c17-11-4-9(5-12(19)8-11)6-14(20)15-7-10-2-1-3-13(18)16(10)21-15/h1-5,7-8,14,20H,6H2.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol?
1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol has a molecular weight of 414.07 g/mol, XLogP of 5.37, 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-(3-bromo-5-fluorophenyl)ethanol is sourced from PubChem (CID 105115438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).