3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one

C17H15F3O2 — CID 24725798

IUPAC3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCOc1ccccc1CCC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3O2/c1-22-16-5-3-2-4-13(16)8-11-15(21)12-6-9-14(10-7-12)17(18,19)20/h2-7,9-10H,8,11H2,1H3
InChIKeyNHOZJSVFUXFFHE-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.53
Rot. Bonds5

About 3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one

3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 24725798) has the molecular formula C17H15F3O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID24725798
Molecular FormulaC17H15F3O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCOc1ccccc1CCC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3O2/c1-22-16-5-3-2-4-13(16)8-11-15(21)12-6-9-14(10-7-12)17(18,19)20/h2-7,9-10H,8,11H2,1H3
InChIKeyNHOZJSVFUXFFHE-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791757
N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 42773961
3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one
CID 82782955
3-(2-amino-3-methoxyphenyl)-1-(4-fluorophenyl)propan-1-one
CID 11372612
3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025439
1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 53415618
N-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)propanamide
CID 47085536
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510041
3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one
CID 102755961
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108
1-(4-chloro-3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 68768215
3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 13045747

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one (CID 24725798) is 3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one is COc1ccccc1CCC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is NHOZJSVFUXFFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O2/c1-22-16-5-3-2-4-13(16)8-11-15(21)12-6-9-14(10-7-12)17(18,19)20/h2-7,9-10H,8,11H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one?
3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 308.30 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 24725798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).