(2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol

C16H14F4O — CID 107287245

IUPAC(2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESCc1ccc(C(O)c2ccc(C(F)(F)F)c(F)c2)c(C)c1
InChIInChI=1S/C16H14F4O/c1-9-3-5-12(10(2)7-9)15(21)11-4-6-13(14(17)8-11)16(18,19)20/h3-8,15,21H,1-2H3
InChIKeyUMFYSAIQXVGXDK-UHFFFAOYSA-N
MW298.28 g/mol
LogP4.54
Rot. Bonds2

About (2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol

(2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol (PubChem CID 107287245) has the molecular formula C16H14F4O and a molecular weight of 298.28 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
PubChem CID107287245
Molecular FormulaC16H14F4O
Molecular Weight298.28 g/mol
Exact Mass298.10
IUPAC Name(2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESCc1ccc(C(O)c2ccc(C(F)(F)F)c(F)c2)c(C)c1
InChIInChI=1S/C16H14F4O/c1-9-3-5-12(10(2)7-9)15(21)11-4-6-13(14(17)8-11)16(18,19)20/h3-8,15,21H,1-2H3
InChIKeyUMFYSAIQXVGXDK-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287213
(2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 61101273
(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107288455
(4-fluoro-3-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751473
1-[chloro-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,4-dimethylbenzene
CID 63430183
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107292014
(3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751415
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanol
CID 62791480
[3-(difluoromethyl)phenyl]-(2,4-dimethylphenyl)methanol
CID 115527668
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 62801811

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol (CID 107287245) is (2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol is Cc1ccc(C(O)c2ccc(C(F)(F)F)c(F)c2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is UMFYSAIQXVGXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4O/c1-9-3-5-12(10(2)7-9)15(21)11-4-6-13(14(17)8-11)16(18,19)20/h3-8,15,21H,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
(2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 298.28 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 107287245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).