1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one

C18H17F3O3 — CID 71137112

IUPAC1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one
SMILESCOc1cc(OC)cc(C(=O)CCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H17F3O3/c1-23-14-9-13(10-15(11-14)24-2)17(22)8-7-12-5-3-4-6-16(12)18(19,20)21/h3-6,9-11H,7-8H2,1-2H3
InChIKeyFOGQQWDGEGISBP-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.54
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one

1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 71137112) has the molecular formula C18H17F3O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one
PubChem CID71137112
Molecular FormulaC18H17F3O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one
SMILESCOc1cc(OC)cc(C(=O)CCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H17F3O3/c1-23-14-9-13(10-15(11-14)24-2)17(22)8-7-12-5-3-4-6-16(12)18(19,20)21/h3-6,9-11H,7-8H2,1-2H3
InChIKeyFOGQQWDGEGISBP-UHFFFAOYSA-N
XLogP4.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one (CID 71137112) is 1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one is COc1cc(OC)cc(C(=O)CCc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is FOGQQWDGEGISBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O3/c1-23-14-9-13(10-15(11-14)24-2)17(22)8-7-12-5-3-4-6-16(12)18(19,20)21/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one?
1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 338.33 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 71137112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).