2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene

C15H13F3O — CID 69483176

IUPAC2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene
SMILESCc1cc(-c2ccccc2C)ccc1OC(F)(F)F
InChIInChI=1S/C15H13F3O/c1-10-5-3-4-6-13(10)12-7-8-14(11(2)9-12)19-15(16,17)18/h3-9H,1-2H3
InChIKeyFCYWLRLEBXKXQC-UHFFFAOYSA-N
MW266.26 g/mol
LogP4.87
Rot. Bonds2

About 2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene

2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene (PubChem CID 69483176) has the molecular formula C15H13F3O and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene
PubChem CID69483176
Molecular FormulaC15H13F3O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene
SMILESCc1cc(-c2ccccc2C)ccc1OC(F)(F)F
InChIInChI=1S/C15H13F3O/c1-10-5-3-4-6-13(10)12-7-8-14(11(2)9-12)19-15(16,17)18/h3-9H,1-2H3
InChIKeyFCYWLRLEBXKXQC-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene
CID 134627988
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
2-chloro-4-fluoro-1-[3-methyl-4-(trifluoromethoxy)phenyl]benzene
CID 58902883
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
3-fluoro-4-[3-methyl-4-(trifluoromethoxy)phenyl]benzonitrile
CID 58902818
1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene
CID 143206169
[2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804267
2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride
CID 163408307
3-(2-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221910
2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
CID 172876941

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene?
The IUPAC name of 2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene (CID 69483176) is 2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene?
The canonical SMILES for 2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene is Cc1cc(-c2ccccc2C)ccc1OC(F)(F)F.
What is the InChIKey of 2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene?
The InChIKey is FCYWLRLEBXKXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O/c1-10-5-3-4-6-13(10)12-7-8-14(11(2)9-12)19-15(16,17)18/h3-9H,1-2H3.
What are the key properties of 2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene?
2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene has a molecular weight of 266.26 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 69483176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).