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

C14H11BrClFO — CID 62606952

IUPAC2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol
SMILESOC(Cc1ccc(Br)cc1F)c1ccccc1Cl
InChIInChI=1S/C14H11BrClFO/c15-10-6-5-9(13(17)8-10)7-14(18)11-3-1-2-4-12(11)16/h1-6,8,14,18H,7H2
InChIKeyCQZDHKXBEZMXDG-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.52
Rot. Bonds3

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

2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol (PubChem CID 62606952) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol
PubChem CID62606952
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol
SMILESOC(Cc1ccc(Br)cc1F)c1ccccc1Cl
InChIInChI=1S/C14H11BrClFO/c15-10-6-5-9(13(17)8-10)7-14(18)11-3-1-2-4-12(11)16/h1-6,8,14,18H,7H2
InChIKeyCQZDHKXBEZMXDG-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol
CID 107103323
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114852756
1-(3-bromo-2-fluorophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 107954007
2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol
CID 115788510
2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanol
CID 65148464
1-(2-chlorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 62099435
2-(4-bromo-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60898079
2-(3-bromophenyl)-1-(2-chlorophenyl)ethanol
CID 61029924
1-(2,4-dibromophenyl)-2-(2,4-difluorophenyl)ethanol
CID 107947331
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115784831
(1R)-1,2-bis(2-chlorophenyl)ethanol
CID 86310638
2-(4-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115788462

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol (CID 62606952) is 2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol is OC(Cc1ccc(Br)cc1F)c1ccccc1Cl.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol?
The InChIKey is CQZDHKXBEZMXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c15-10-6-5-9(13(17)8-10)7-14(18)11-3-1-2-4-12(11)16/h1-6,8,14,18H,7H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol?
2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol has a molecular weight of 329.60 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol is sourced from PubChem (CID 62606952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).