(2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol

C16H15F3O — CID 61101273

IUPAC(2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCc1ccc(C(O)c2ccccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C16H15F3O/c1-10-7-8-12(11(2)9-10)15(20)13-5-3-4-6-14(13)16(17,18)19/h3-9,15,20H,1-2H3
InChIKeyVBIAUMWBQNVCRI-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.40
Rot. Bonds2

About (2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol

(2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 61101273) has the molecular formula C16H15F3O and a molecular weight of 280.29 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID61101273
Molecular FormulaC16H15F3O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name(2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCc1ccc(C(O)c2ccccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C16H15F3O/c1-10-7-8-12(11(2)9-10)15(20)13-5-3-4-6-14(13)16(17,18)19/h3-9,15,20H,1-2H3
InChIKeyVBIAUMWBQNVCRI-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287245
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 114330011
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 62801811
(3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 115796099
(2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol
CID 107983313
(4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol
CID 61101101
2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 103448986
(2,3-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751424
(2,4-dimethylphenyl)-quinolin-8-ylmethanol
CID 62875063
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
(5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 115796079

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol (CID 61101273) is (2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol is Cc1ccc(C(O)c2ccccc2C(F)(F)F)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is VBIAUMWBQNVCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O/c1-10-7-8-12(11(2)9-10)15(20)13-5-3-4-6-14(13)16(17,18)19/h3-9,15,20H,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol?
(2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 280.29 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 61101273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).