2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene

C20H15F3O — CID 146622594

IUPAC2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene
SMILESCOc1c(-c2ccccc2)cc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C20H15F3O/c1-24-19-17(14-8-4-2-5-9-14)12-16(20(21,22)23)13-18(19)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyAAIHBLVHEJHPBU-UHFFFAOYSA-N
MW328.33 g/mol
LogP6.05
Rot. Bonds3

About 2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene

2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene (PubChem CID 146622594) has the molecular formula C20H15F3O and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene
PubChem CID146622594
Molecular FormulaC20H15F3O
Molecular Weight328.33 g/mol
Exact Mass328.11
IUPAC Name2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene
SMILESCOc1c(-c2ccccc2)cc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C20H15F3O/c1-24-19-17(14-8-4-2-5-9-14)12-16(20(21,22)23)13-18(19)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyAAIHBLVHEJHPBU-UHFFFAOYSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.33
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-methoxy-3-phenyl-5-(trifluoromethyl)benzene
CID 164892984
2-methoxy-1,3-diphenylbenzene
CID 23524590
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 118812916
1,5-dibromo-2-methoxy-3-phenylbenzene
CID 164895909
1-(4-methoxy-3,5-diphenylphenyl)-2,4,6-triphenylpyridin-1-ium
CID 102227143
2-methyl-1-phenyl-4-(trifluoromethyl)benzene;sulfanol
CID 174961722
3-fluoro-2-iodo-6-methoxy-5-phenylphenol
CID 87824112
4-phenyl-2,6-bis(trifluoromethyl)quinoline
CID 135018944
4-methoxy-2,5-diphenylbenzene-1,3-diol
CID 53244203
2-ethyl-1-phenyl-4-(trifluoromethyl)benzene
CID 19702469

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene?
The IUPAC name of 2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene (CID 146622594) is 2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene is COc1c(-c2ccccc2)cc(C(F)(F)F)cc1-c1ccccc1.
What is the InChIKey of 2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene?
The InChIKey is AAIHBLVHEJHPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3O/c1-24-19-17(14-8-4-2-5-9-14)12-16(20(21,22)23)13-18(19)15-10-6-3-7-11-15/h2-13H,1H3.
What are the key properties of 2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene?
2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene has a molecular weight of 328.33 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 146622594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).