1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol

C16H11BrCl2O2 — CID 105100365

IUPAC1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H11BrCl2O2/c17-12-3-1-2-9-8-15(21-16(9)12)14(20)7-10-6-11(18)4-5-13(10)19/h1-6,8,14,20H,7H2
InChIKeyGQXIFTIENCDTRG-UHFFFAOYSA-N
MW386.07 g/mol
LogP5.78
Rot. Bonds3

About 1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol

1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol (PubChem CID 105100365) has the molecular formula C16H11BrCl2O2 and a molecular weight of 386.07 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
PubChem CID105100365
Molecular FormulaC16H11BrCl2O2
Molecular Weight386.07 g/mol
Exact Mass383.93
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H11BrCl2O2/c17-12-3-1-2-9-8-15(21-16(9)12)14(20)7-10-6-11(18)4-5-13(10)19/h1-6,8,14,20H,7H2
InChIKeyGQXIFTIENCDTRG-UHFFFAOYSA-N
XLogP5.78
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.07
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)ethanol
CID 105126626
1-(7-bromo-1-benzofuran-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 105124079
1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894433
1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 65317285
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
1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 107954021
1-(7-bromo-1-benzofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 105079611
(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine
CID 63549150
1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol
CID 105122499
1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 105115438
[(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methyl]hydrazine
CID 105301983

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol (CID 105100365) is 1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol is OC(Cc1cc(Cl)ccc1Cl)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol?
The InChIKey is GQXIFTIENCDTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrCl2O2/c17-12-3-1-2-9-8-15(21-16(9)12)14(20)7-10-6-11(18)4-5-13(10)19/h1-6,8,14,20H,7H2.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol?
1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol has a molecular weight of 386.07 g/mol, XLogP of 5.78, 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-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 105100365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).