1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol

C14H10Br2ClFO — CID 115779651

IUPAC1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)c(Br)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H10Br2ClFO/c15-10-3-2-9(7-12(10)17)14(19)6-8-1-4-13(18)11(16)5-8/h1-5,7,14,19H,6H2
InChIKeySJAJFLHSKMPUPZ-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.28
Rot. Bonds3

About 1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol

1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol (PubChem CID 115779651) has the molecular formula C14H10Br2ClFO and a molecular weight of 408.49 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
PubChem CID115779651
Molecular FormulaC14H10Br2ClFO
Molecular Weight408.49 g/mol
Exact Mass405.88
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)c(Br)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H10Br2ClFO/c15-10-3-2-9(7-12(10)17)14(19)6-8-1-4-13(18)11(16)5-8/h1-5,7,14,19H,6H2
InChIKeySJAJFLHSKMPUPZ-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-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053459
1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 81307399
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839745
1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82919458
1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol
CID 114980844
2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 62607593
1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 63414664
1-(4-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883490
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 61080644
1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine
CID 115566630
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038952
1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol
CID 115833417

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol (CID 115779651) is 1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol is OC(Cc1ccc(F)c(Br)c1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol?
The InChIKey is SJAJFLHSKMPUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClFO/c15-10-3-2-9(7-12(10)17)14(19)6-8-1-4-13(18)11(16)5-8/h1-5,7,14,19H,6H2.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol?
1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)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 1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol is sourced from PubChem (CID 115779651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).