2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene

C15H13F3O — CID 134627143

IUPAC2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
SMILESCOc1cc(-c2cccc(C(F)(F)F)c2)ccc1C
InChIInChI=1S/C15H13F3O/c1-10-6-7-12(9-14(10)19-2)11-4-3-5-13(8-11)15(16,17)18/h3-9H,1-2H3
InChIKeyKQZGFOWHXHWXBN-UHFFFAOYSA-N
MW266.26 g/mol
LogP4.69
Rot. Bonds2

About 2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene

2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene (PubChem CID 134627143) has the molecular formula C15H13F3O and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
PubChem CID134627143
Molecular FormulaC15H13F3O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
SMILESCOc1cc(-c2cccc(C(F)(F)F)c2)ccc1C
InChIInChI=1S/C15H13F3O/c1-10-6-7-12(9-14(10)19-2)11-4-3-5-13(8-11)15(16,17)18/h3-9H,1-2H3
InChIKeyKQZGFOWHXHWXBN-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227617
4-(3-methoxy-4-methylphenyl)-6-[1-[3-[3-(trifluoromethyl)phenyl]phenyl]ethylamino]pyrimidine-2-carbonitrile
CID 144667922
1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119024630
3-(3-methoxy-4-methylphenyl)benzoic acid
CID 53216637
[2-methoxy-5-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]boronic acid
CID 123757639
4-(4-fluorophenyl)-2-methoxy-1-methylbenzene
CID 46313029
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002
dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90171711
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
formamide;4-(3-methoxy-4-methylphenyl)-6-[1-[3-[3-(trifluoromethyl)phenyl]phenyl]ethylamino]pyrimidine-2-carbonitrile
CID 144667921
2-methyl-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 134627253

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene (CID 134627143) is 2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene is COc1cc(-c2cccc(C(F)(F)F)c2)ccc1C.
What is the InChIKey of 2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene?
The InChIKey is KQZGFOWHXHWXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O/c1-10-6-7-12(9-14(10)19-2)11-4-3-5-13(8-11)15(16,17)18/h3-9H,1-2H3.
What are the key properties of 2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene?
2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene has a molecular weight of 266.26 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134627143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).