1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzene

C24H23F3O2S — CID 3027314

IUPAC1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzene
SMILESCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C24H23F3O2S/c1-23(2,19-11-13-22(14-12-19)30-24(25,26)27)17-28-16-18-7-6-10-21(15-18)29-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3
InChIKeyWIVQDWXVDWSWDU-UHFFFAOYSA-N
MW432.51 g/mol
LogP7.59
Rot. Bonds8

About 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzene

1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzene (PubChem CID 3027314) has the molecular formula C24H23F3O2S and a molecular weight of 432.51 g/mol. Its IUPAC name is 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzene
PubChem CID3027314
Molecular FormulaC24H23F3O2S
Molecular Weight432.51 g/mol
Exact Mass432.14
IUPAC Name1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzene
SMILESCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C24H23F3O2S/c1-23(2,19-11-13-22(14-12-19)30-24(25,26)27)17-28-16-18-7-6-10-21(15-18)29-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3
InChIKeyWIVQDWXVDWSWDU-UHFFFAOYSA-N
XLogP7.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.51
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzene 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-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzene (CID 3027314) is 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzene is CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzene?
The InChIKey is WIVQDWXVDWSWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3O2S/c1-23(2,19-11-13-22(14-12-19)30-24(25,26)27)17-28-16-18-7-6-10-21(15-18)29-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3.
What are the key properties of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzene?
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzene has a molecular weight of 432.51 g/mol, XLogP of 7.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 3027314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).