1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol

C14H10BrCl3O — CID 115566546

IUPAC1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H10BrCl3O/c15-11-6-8(1-3-13(11)18)14(19)7-9-5-10(16)2-4-12(9)17/h1-6,14,19H,7H2
InChIKeyUZUSAPJJLKOZQM-UHFFFAOYSA-N
MW380.50 g/mol
LogP5.69
Rot. Bonds3

About 1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol

1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol (PubChem CID 115566546) has the molecular formula C14H10BrCl3O and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
PubChem CID115566546
Molecular FormulaC14H10BrCl3O
Molecular Weight380.50 g/mol
Exact Mass377.90
IUPAC Name1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H10BrCl3O/c15-11-6-8(1-3-13(11)18)14(19)7-9-5-10(16)2-4-12(9)17/h1-6,14,19H,7H2
InChIKeyUZUSAPJJLKOZQM-UHFFFAOYSA-N
XLogP5.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 65316618
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanol
CID 113336988
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 65316811
2-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanol
CID 65316953
2-(2,5-dichlorophenyl)-1-(4-iodophenyl)ethanol
CID 115802046
1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82919458
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053459
2-(2,5-dichlorophenyl)-1-naphthalen-2-ylethanol
CID 65317190
1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 65317285
1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 113298218
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839745
1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802065

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol (CID 115566546) is 1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol is OC(Cc1cc(Cl)ccc1Cl)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol?
The InChIKey is UZUSAPJJLKOZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl3O/c15-11-6-8(1-3-13(11)18)14(19)7-9-5-10(16)2-4-12(9)17/h1-6,14,19H,7H2.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol?
1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol has a molecular weight of 380.50 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 115566546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).