2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol

C14H10Br2ClFO — CID 107947895

IUPAC2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol
SMILESOC(Cc1cc(F)ccc1Cl)c1ccc(Br)cc1Br
InChIInChI=1S/C14H10Br2ClFO/c15-9-1-3-11(12(16)7-9)14(19)6-8-5-10(18)2-4-13(8)17/h1-5,7,14,19H,6H2
InChIKeyCHQYYEDEIOQQJY-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.28
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol

2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol (PubChem CID 107947895) has the molecular formula C14H10Br2ClFO and a molecular weight of 408.49 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol
PubChem CID107947895
Molecular FormulaC14H10Br2ClFO
Molecular Weight408.49 g/mol
Exact Mass405.88
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol
SMILESOC(Cc1cc(F)ccc1Cl)c1ccc(Br)cc1Br
InChIInChI=1S/C14H10Br2ClFO/c15-9-1-3-11(12(16)7-9)14(19)6-8-5-10(18)2-4-13(8)17/h1-5,7,14,19H,6H2
InChIKeyCHQYYEDEIOQQJY-UHFFFAOYSA-N
XLogP5.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 115787558
1-(2,4-dibromophenyl)-2-(2,4-difluorophenyl)ethanol
CID 107947331
1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol
CID 107947257
2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 102617223
1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802037
1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779284
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
2-(2-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150935
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115784831
1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol
CID 55150652
1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016944
2-(2-chloro-5-fluorophenyl)-1-naphthalen-1-ylethanol
CID 102617231

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol (CID 107947895) is 2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol is OC(Cc1cc(F)ccc1Cl)c1ccc(Br)cc1Br.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol?
The InChIKey is CHQYYEDEIOQQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClFO/c15-9-1-3-11(12(16)7-9)14(19)6-8-5-10(18)2-4-13(8)17/h1-5,7,14,19H,6H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol?
2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol has a molecular weight of 408.49 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(2,4-dibromophenyl)ethanol is sourced from PubChem (CID 107947895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).