2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol

C15H13BrClFO — CID 115787001

IUPAC2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
SMILESCc1ccc(Cl)cc1C(O)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H13BrClFO/c1-9-2-4-11(17)7-13(9)15(19)6-10-3-5-12(18)8-14(10)16/h2-5,7-8,15,19H,6H2,1H3
InChIKeyDPYGLVFWLQPCJJ-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.83
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol

2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol (PubChem CID 115787001) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
PubChem CID115787001
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
SMILESCc1ccc(Cl)cc1C(O)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H13BrClFO/c1-9-2-4-11(17)7-13(9)15(19)6-10-3-5-12(18)8-14(10)16/h2-5,7-8,15,19H,6H2,1H3
InChIKeyDPYGLVFWLQPCJJ-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.62
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150787
2-(2,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607142
2-(5-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 103048202
2-(2-chloro-4-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607143
2-(2-bromo-4-fluorophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanol
CID 115786975
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115786915
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol
CID 65148185
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
2-(2-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115831225
2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 106867292
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62387586

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol (CID 115787001) is 2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol is Cc1ccc(Cl)cc1C(O)Cc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol?
The InChIKey is DPYGLVFWLQPCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-9-2-4-11(17)7-13(9)15(19)6-10-3-5-12(18)8-14(10)16/h2-5,7-8,15,19H,6H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol?
2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol has a molecular weight of 343.62 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol is sourced from PubChem (CID 115787001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).