(3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol

C15H12BrF3O — CID 115792429

IUPAC(3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
SMILESCc1ccc(C(O)c2cccc(C(F)(F)F)c2)cc1Br
InChIInChI=1S/C15H12BrF3O/c1-9-5-6-11(8-13(9)16)14(20)10-3-2-4-12(7-10)15(17,18)19/h2-8,14,20H,1H3
InChIKeyWTUJQSWKLWINLY-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.86
Rot. Bonds2

About (3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol

(3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 115792429) has the molecular formula C15H12BrF3O and a molecular weight of 345.16 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
PubChem CID115792429
Molecular FormulaC15H12BrF3O
Molecular Weight345.16 g/mol
Exact Mass344.00
IUPAC Name(3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
SMILESCc1ccc(C(O)c2cccc(C(F)(F)F)c2)cc1Br
InChIInChI=1S/C15H12BrF3O/c1-9-5-6-11(8-13(9)16)14(20)10-3-2-4-12(7-10)15(17,18)19/h2-8,14,20H,1H3
InChIKeyWTUJQSWKLWINLY-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

(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413
(3-bromo-4-methylphenyl)-(3-methylphenyl)methanol
CID 114978122
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 107978303
4-[bromo-[3-(trifluoromethyl)phenyl]methyl]-1,2-dimethylbenzene
CID 63435678
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 81476241
pyridin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11425288
(3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751415
pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol
CID 62491180
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 115791704
thiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol
CID 62789605
(2-fluoro-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 62791138

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol (CID 115792429) is (3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol is Cc1ccc(C(O)c2cccc(C(F)(F)F)c2)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is WTUJQSWKLWINLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O/c1-9-5-6-11(8-13(9)16)14(20)10-3-2-4-12(7-10)15(17,18)19/h2-8,14,20H,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol?
(3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]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 (3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 115792429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).