1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone

C17H15F3O3 — CID 59384444

IUPAC1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone
SMILESCOc1ccc(COc2ccc(C(C)=O)cc2C(F)(F)F)cc1
InChIInChI=1S/C17H15F3O3/c1-11(21)13-5-8-16(15(9-13)17(18,19)20)23-10-12-3-6-14(22-2)7-4-12/h3-9H,10H2,1-2H3
InChIKeyRHLDBSSZLMHGFT-UHFFFAOYSA-N
MW324.30 g/mol
LogP4.50
Rot. Bonds5

About 1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone

1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone (PubChem CID 59384444) has the molecular formula C17H15F3O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone
PubChem CID59384444
Molecular FormulaC17H15F3O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC Name1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone
SMILESCOc1ccc(COc2ccc(C(C)=O)cc2C(F)(F)F)cc1
InChIInChI=1S/C17H15F3O3/c1-11(21)13-5-8-16(15(9-13)17(18,19)20)23-10-12-3-6-14(22-2)7-4-12/h3-9H,10H2,1-2H3
InChIKeyRHLDBSSZLMHGFT-UHFFFAOYSA-N
XLogP4.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone 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

4-[[2-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 154276650
1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
CID 14597431
1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 71248787
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 176890348
1-[4-octoxy-3-(trifluoromethyl)phenyl]ethanone
CID 59384446
1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone
CID 113389556
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
1-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]ethanone
CID 118619612
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 171484206
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
CID 52561273

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone (CID 59384444) is 1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone is COc1ccc(COc2ccc(C(C)=O)cc2C(F)(F)F)cc1.
What is the InChIKey of 1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is RHLDBSSZLMHGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O3/c1-11(21)13-5-8-16(15(9-13)17(18,19)20)23-10-12-3-6-14(22-2)7-4-12/h3-9H,10H2,1-2H3.
What are the key properties of 1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone?
1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 324.30 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 59384444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).