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

C15H13Br2FO — CID 115784822

IUPAC2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
SMILESCc1ccc(Br)cc1C(O)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H13Br2FO/c1-9-2-3-12(17)8-13(9)15(19)7-10-6-11(16)4-5-14(10)18/h2-6,8,15,19H,7H2,1H3
InChIKeyHKOMHIFLHIFPPX-UHFFFAOYSA-N
MW388.07 g/mol
LogP4.94
Rot. Bonds3

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

2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol (PubChem CID 115784822) has the molecular formula C15H13Br2FO and a molecular weight of 388.07 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
PubChem CID115784822
Molecular FormulaC15H13Br2FO
Molecular Weight388.07 g/mol
Exact Mass385.93
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
SMILESCc1ccc(Br)cc1C(O)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H13Br2FO/c1-9-2-3-12(17)8-13(9)15(19)7-10-6-11(16)4-5-14(10)18/h2-6,8,15,19H,7H2,1H3
InChIKeyHKOMHIFLHIFPPX-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.07
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 55096088
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115784831
2-(5-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 103048202
2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 115784984
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115784994
1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 115784854
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 65148571
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106866248
2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanol
CID 65148464
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389
2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol
CID 65150727
2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115779347

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol (CID 115784822) is 2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol is Cc1ccc(Br)cc1C(O)Cc1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol?
The InChIKey is HKOMHIFLHIFPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FO/c1-9-2-3-12(17)8-13(9)15(19)7-10-6-11(16)4-5-14(10)18/h2-6,8,15,19H,7H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol?
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol has a molecular weight of 388.07 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol is sourced from PubChem (CID 115784822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).