2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol

C14H10Br3FO — CID 115788510

IUPAC2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol
SMILESOC(Cc1ccc(Br)cc1F)c1cc(Br)ccc1Br
InChIInChI=1S/C14H10Br3FO/c15-9-3-4-12(17)11(6-9)14(19)5-8-1-2-10(16)7-13(8)18/h1-4,6-7,14,19H,5H2
InChIKeyOEGKHKDXVKWVML-UHFFFAOYSA-N
MW452.94 g/mol
LogP5.39
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol

2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol (PubChem CID 115788510) has the molecular formula C14H10Br3FO and a molecular weight of 452.94 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol
PubChem CID115788510
Molecular FormulaC14H10Br3FO
Molecular Weight452.94 g/mol
Exact Mass449.83
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol
SMILESOC(Cc1ccc(Br)cc1F)c1cc(Br)ccc1Br
InChIInChI=1S/C14H10Br3FO/c15-9-3-4-12(17)11(6-9)14(19)5-8-1-2-10(16)7-13(8)18/h1-4,6-7,14,19H,5H2
InChIKeyOEGKHKDXVKWVML-UHFFFAOYSA-N
XLogP5.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.94
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115788462
1-(3-bromo-2-fluorophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 107954007
1-(2,4-dibromophenyl)-2-(2,4-difluorophenyl)ethanol
CID 107947331
2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 62606952
2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol
CID 62608623
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114852756
1-(4-aminophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 106695442
2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol
CID 107103323
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethanol
CID 62715953
2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115788594
1-(5-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 115787558

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol (CID 115788510) is 2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol is OC(Cc1ccc(Br)cc1F)c1cc(Br)ccc1Br.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol?
The InChIKey is OEGKHKDXVKWVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3FO/c15-9-3-4-12(17)11(6-9)14(19)5-8-1-2-10(16)7-13(8)18/h1-4,6-7,14,19H,5H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol?
2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol has a molecular weight of 452.94 g/mol, XLogP of 5.39, 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-(2,5-dibromophenyl)ethanol is sourced from PubChem (CID 115788510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).