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

C15H13F3O — CID 90813207

IUPAC1-[methoxy(phenyl)methyl]-4-(trifluoromethyl)benzene
SMILESCOC(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3O/c1-19-14(11-5-3-2-4-6-11)12-7-9-13(10-8-12)15(16,17)18/h2-10,14H,1H3
InChIKeyDSMLCAPKZOSMCT-UHFFFAOYSA-N
MW266.26 g/mol
LogP4.44
Rot. Bonds3

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

1-[methoxy(phenyl)methyl]-4-(trifluoromethyl)benzene (PubChem CID 90813207) has the molecular formula C15H13F3O and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-[methoxy(phenyl)methyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[methoxy(phenyl)methyl]-4-(trifluoromethyl)benzene
PubChem CID90813207
Molecular FormulaC15H13F3O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name1-[methoxy(phenyl)methyl]-4-(trifluoromethyl)benzene
SMILESCOC(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3O/c1-19-14(11-5-3-2-4-6-11)12-7-9-13(10-8-12)15(16,17)18/h2-10,14H,1H3
InChIKeyDSMLCAPKZOSMCT-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzyl ether
CID 7657
Benzene, (1-ethoxyethyl)-
CID 18693
1,4-Bis(Methoxymethyl)Benzene
CID 81239
Bis(1-phenylethyl) ether
CID 62342
2-(3-Methylphenyl)oxirane
CID 152312
4-Methylbenzhydrol
CID 95377
2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
2H-Pyran, tetrahydro-2-methyl-4-methylene-6-phenyl-
CID 121777
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4S)-rel-
CID 15640305
1-(2-Methoxypropan-2-yl)-4-methylbenzene
CID 14121774
cis-Stilbene oxide
CID 98511
2-(4-Methylphenyl)oxirane
CID 108111

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(phenyl)methyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[methoxy(phenyl)methyl]-4-(trifluoromethyl)benzene (CID 90813207) is 1-[methoxy(phenyl)methyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[methoxy(phenyl)methyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[methoxy(phenyl)methyl]-4-(trifluoromethyl)benzene is COC(c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[methoxy(phenyl)methyl]-4-(trifluoromethyl)benzene?
The InChIKey is DSMLCAPKZOSMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O/c1-19-14(11-5-3-2-4-6-11)12-7-9-13(10-8-12)15(16,17)18/h2-10,14H,1H3.
What are the key properties of 1-[methoxy(phenyl)methyl]-4-(trifluoromethyl)benzene?
1-[methoxy(phenyl)methyl]-4-(trifluoromethyl)benzene has a molecular weight of 266.26 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(phenyl)methyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 90813207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).