(2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol

C15H11Br2F3O — CID 102759051

IUPAC(2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1cc(Br)ccc1Br
InChIInChI=1S/C15H11Br2F3O/c1-8-6-9(15(18,19)20)2-4-11(8)14(21)12-7-10(16)3-5-13(12)17/h2-7,14,21H,1H3
InChIKeyFDIPISAYIAOKKJ-UHFFFAOYSA-N
MW424.05 g/mol
LogP5.62
Rot. Bonds2

About (2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol

(2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol (PubChem CID 102759051) has the molecular formula C15H11Br2F3O and a molecular weight of 424.05 g/mol. Its IUPAC name is (2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
PubChem CID102759051
Molecular FormulaC15H11Br2F3O
Molecular Weight424.05 g/mol
Exact Mass421.91
IUPAC Name(2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1cc(Br)ccc1Br
InChIInChI=1S/C15H11Br2F3O/c1-8-6-9(15(18,19)20)2-4-11(8)14(21)12-7-10(16)3-5-13(12)17/h2-7,14,21H,1H3
InChIKeyFDIPISAYIAOKKJ-UHFFFAOYSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.05
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol 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-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol
CID 114979165
(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63426128
(4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol
CID 114374820
(3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751415
(3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 106886320
(2-bromo-5-fluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794207
(2,3-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751424
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
(4-fluoro-3-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751473
1-[2-bromo-5-(trifluoromethyl)phenyl]prop-2-yn-1-ol
CID 115811105
(4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol
CID 61101101
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol
CID 106972099

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol (CID 102759051) is (2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol is Cc1cc(C(F)(F)F)ccc1C(O)c1cc(Br)ccc1Br.
What is the InChIKey of (2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is FDIPISAYIAOKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2F3O/c1-8-6-9(15(18,19)20)2-4-11(8)14(21)12-7-10(16)3-5-13(12)17/h2-7,14,21H,1H3.
What are the key properties of (2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
(2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 424.05 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 102759051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).