2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol

C15H13BrClFO — CID 107103323

IUPAC2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol
SMILESCc1c(Cl)cccc1C(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H13BrClFO/c1-9-12(3-2-4-13(9)17)15(19)7-10-5-6-11(16)8-14(10)18/h2-6,8,15,19H,7H2,1H3
InChIKeyHTRQUESVGASVAC-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.83
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol

2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol (PubChem CID 107103323) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol
PubChem CID107103323
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol
SMILESCc1c(Cl)cccc1C(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H13BrClFO/c1-9-12(3-2-4-13(9)17)15(19)7-10-5-6-11(16)8-14(10)18/h2-6,8,15,19H,7H2,1H3
InChIKeyHTRQUESVGASVAC-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-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 62606952
1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839758
1-(3-bromo-2-fluorophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 107954007
1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 107103532
2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanol
CID 65148464
2-(4-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115788462
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114852756
1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 107103304
2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol
CID 115788510
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol
CID 107985833
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106866248
2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115833929

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol (CID 107103323) is 2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol is Cc1c(Cl)cccc1C(O)Cc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol?
The InChIKey is HTRQUESVGASVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-9-12(3-2-4-13(9)17)15(19)7-10-5-6-11(16)8-14(10)18/h2-6,8,15,19H,7H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol?
2-(4-bromo-2-fluorophenyl)-1-(3-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-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol is sourced from PubChem (CID 107103323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).