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

C14H10BrCl2FO — CID 114852756

IUPAC1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1F)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H10BrCl2FO/c15-9-2-4-11(12(17)6-9)14(19)5-8-1-3-10(16)7-13(8)18/h1-4,6-7,14,19H,5H2
InChIKeyYCJBJPVNRAEXRG-UHFFFAOYSA-N
MW364.04 g/mol
LogP5.17
Rot. Bonds3

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

1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol (PubChem CID 114852756) has the molecular formula C14H10BrCl2FO and a molecular weight of 364.04 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
PubChem CID114852756
Molecular FormulaC14H10BrCl2FO
Molecular Weight364.04 g/mol
Exact Mass361.93
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1F)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H10BrCl2FO/c15-9-2-4-11(12(17)6-9)14(19)5-8-1-3-10(16)7-13(8)18/h1-4,6-7,14,19H,5H2
InChIKeyYCJBJPVNRAEXRG-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.04
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 62606952
2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115839677
2-(2-bromo-4-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150787
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115784831
1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol
CID 55150652
2-(2-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150935
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109
2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol
CID 115788510
2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol
CID 107103323
1-(2,4-dibromophenyl)-2-(2,4-difluorophenyl)ethanol
CID 107947331
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106866248
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114894465

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol (CID 114852756) is 1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol is OC(Cc1ccc(Cl)cc1F)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol?
The InChIKey is YCJBJPVNRAEXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2FO/c15-9-2-4-11(12(17)6-9)14(19)5-8-1-3-10(16)7-13(8)18/h1-4,6-7,14,19H,5H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol?
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol has a molecular weight of 364.04 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 114852756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).