1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol

C12H8Br2Cl2O2 — CID 65317285

IUPAC1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)c1cc(Br)c(Br)o1
InChIInChI=1S/C12H8Br2Cl2O2/c13-8-5-11(18-12(8)14)10(17)4-6-3-7(15)1-2-9(6)16/h1-3,5,10,17H,4H2
InChIKeyRQYWOZAPZHYYKG-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.39
Rot. Bonds3

About 1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol

1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol (PubChem CID 65317285) has the molecular formula C12H8Br2Cl2O2 and a molecular weight of 414.91 g/mol. Its IUPAC name is 1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
PubChem CID65317285
Molecular FormulaC12H8Br2Cl2O2
Molecular Weight414.91 g/mol
Exact Mass411.83
IUPAC Name1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)c1cc(Br)c(Br)o1
InChIInChI=1S/C12H8Br2Cl2O2/c13-8-5-11(18-12(8)14)10(17)4-6-3-7(15)1-2-9(6)16/h1-3,5,10,17H,4H2
InChIKeyRQYWOZAPZHYYKG-UHFFFAOYSA-N
XLogP5.39
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.91
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 105100365
1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115566546
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 65316618
1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 113298218
1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802037
1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802065
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 65316811
1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 107954021
1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115801912
2-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanol
CID 65316953
2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol
CID 115802046
1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114851950

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol (CID 65317285) is 1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol is OC(Cc1cc(Cl)ccc1Cl)c1cc(Br)c(Br)o1.
What is the InChIKey of 1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol?
The InChIKey is RQYWOZAPZHYYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2Cl2O2/c13-8-5-11(18-12(8)14)10(17)4-6-3-7(15)1-2-9(6)16/h1-3,5,10,17H,4H2.
What are the key properties of 1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol?
1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol has a molecular weight of 414.91 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 65317285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).