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

C15H13F3O — CID 143206169

IUPAC1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene
SMILESCc1ccccc1-c1cc(OC(F)(F)F)ccc1C
InChIInChI=1S/C15H13F3O/c1-10-5-3-4-6-13(10)14-9-12(8-7-11(14)2)19-15(16,17)18/h3-9H,1-2H3
InChIKeyQRCPUFARDRXCIV-UHFFFAOYSA-N
MW266.26 g/mol
LogP4.87
Rot. Bonds2

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

1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene (PubChem CID 143206169) has the molecular formula C15H13F3O and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene
PubChem CID143206169
Molecular FormulaC15H13F3O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene
SMILESCc1ccccc1-c1cc(OC(F)(F)F)ccc1C
InChIInChI=1S/C15H13F3O/c1-10-5-3-4-6-13(10)14-9-12(8-7-11(14)2)19-15(16,17)18/h3-9H,1-2H3
InChIKeyQRCPUFARDRXCIV-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
2-methyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine
CID 162575936
3-(2-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221910
1-bromo-3-(2-methylphenyl)-5-(trifluoromethoxy)benzene
CID 171367195
2-iodo-1-methyl-4-(trifluoromethoxy)benzene
CID 146710880
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
1-methyl-7-(trifluoromethoxy)naphthalene
CID 118830496
1-ethynyl-3-(2-methylphenyl)-5-(trifluoromethoxy)benzene
CID 175670443
2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene
CID 69483176
2-methyl-4-[2-methyl-4-(trifluoromethoxy)phenyl]-1H-indene
CID 173192525
2-(trifluoromethoxy)triphenylene
CID 154001040

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene (CID 143206169) is 1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene is Cc1ccccc1-c1cc(OC(F)(F)F)ccc1C.
What is the InChIKey of 1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene?
The InChIKey is QRCPUFARDRXCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O/c1-10-5-3-4-6-13(10)14-9-12(8-7-11(14)2)19-15(16,17)18/h3-9H,1-2H3.
What are the key properties of 1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene?
1-methyl-2-(2-methylphenyl)-4-(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 1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 143206169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).