[2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol

C15H12BrF3O — CID 114979165

IUPAC[2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C15H12BrF3O/c1-9-4-2-3-5-11(9)14(20)12-8-10(15(17,18)19)6-7-13(12)16/h2-8,14,20H,1H3
InChIKeyVJDPUOIEEVOQBX-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.86
Rot. Bonds2

About [2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol

[2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol (PubChem CID 114979165) has the molecular formula C15H12BrF3O and a molecular weight of 345.16 g/mol. Its IUPAC name is [2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol.

Molecular Properties

Compound Name[2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol
PubChem CID114979165
Molecular FormulaC15H12BrF3O
Molecular Weight345.16 g/mol
Exact Mass344.00
IUPAC Name[2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C15H12BrF3O/c1-9-4-2-3-5-11(9)14(20)12-8-10(15(17,18)19)6-7-13(12)16/h2-8,14,20H,1H3
InChIKeyVJDPUOIEEVOQBX-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759051
(2,3-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751424
(3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 107103538
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
[2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol
CID 114982412
1-[2-bromo-5-(trifluoromethyl)phenyl]prop-2-yn-1-ol
CID 115811105
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 43825554
(2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131586702
(2S)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131441152
(5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol
CID 65432012
(1R,2S)-1-amino-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-dimethylbutan-2-ol
CID 171263154
(3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751415

Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol?
The IUPAC name of [2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol (CID 114979165) is [2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol.
What is the SMILES notation for [2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol?
The canonical SMILES for [2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol is Cc1ccccc1C(O)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of [2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol?
The InChIKey is VJDPUOIEEVOQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O/c1-9-4-2-3-5-11(9)14(20)12-8-10(15(17,18)19)6-7-13(12)16/h2-8,14,20H,1H3.
What are the key properties of [2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol?
[2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol has a molecular weight of 345.16 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol is sourced from PubChem (CID 114979165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).