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

C20H21F3O3 — CID 69041667

IUPAC1-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESCOc1cc(C(C(C)=O)c2ccc(C(F)(F)F)cc2)ccc1OC(C)C
InChIInChI=1S/C20H21F3O3/c1-12(2)26-17-10-7-15(11-18(17)25-4)19(13(3)24)14-5-8-16(9-6-14)20(21,22)23/h5-12,19H,1-4H3
InChIKeyWUMTXNXYRFKTBK-UHFFFAOYSA-N
MW366.38 g/mol
LogP5.22
Rot. Bonds6

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

1-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 69041667) has the molecular formula C20H21F3O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one
PubChem CID69041667
Molecular FormulaC20H21F3O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Name1-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESCOc1cc(C(C(C)=O)c2ccc(C(F)(F)F)cc2)ccc1OC(C)C
InChIInChI=1S/C20H21F3O3/c1-12(2)26-17-10-7-15(11-18(17)25-4)19(13(3)24)14-5-8-16(9-6-14)20(21,22)23/h5-12,19H,1-4H3
InChIKeyWUMTXNXYRFKTBK-UHFFFAOYSA-N
XLogP5.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one (CID 69041667) is 1-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one is COc1cc(C(C(C)=O)c2ccc(C(F)(F)F)cc2)ccc1OC(C)C.
What is the InChIKey of 1-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is WUMTXNXYRFKTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3O3/c1-12(2)26-17-10-7-15(11-18(17)25-4)19(13(3)24)14-5-8-16(9-6-14)20(21,22)23/h5-12,19H,1-4H3.
What are the key properties of 1-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one?
1-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 366.38 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 69041667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).