4-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone

C26H20F6N2O6 — CID 59941716

IUPAC4-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone
SMILESCc1cc(C(c2ccc(O)c(N3C(=O)C4CC5C(=O)N(C)C(=O)C5C4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O
InChIInChI=1S/C26H20F6N2O6/c1-10-7-11(3-5-16(10)35)24(25(27,28)29,26(30,31)32)12-4-6-17(36)15(8-12)34-21(38)14-9-13-18(19(14)23(34)40)22(39)33(2)20(13)37/h3-8,13-14,18-19,35-36H,9H2,1-2H3
InChIKeyGPTJWVWLCDMMOM-UHFFFAOYSA-N
MW570.44 g/mol
LogP3.56
Rot. Bonds3

About 4-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone

4-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone (PubChem CID 59941716) has the molecular formula C26H20F6N2O6 and a molecular weight of 570.44 g/mol. Its IUPAC name is 4-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone.

Molecular Properties

Compound Name4-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone
PubChem CID59941716
Molecular FormulaC26H20F6N2O6
Molecular Weight570.44 g/mol
Exact Mass570.12
IUPAC Name4-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone
SMILESCc1cc(C(c2ccc(O)c(N3C(=O)C4CC5C(=O)N(C)C(=O)C5C4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O
InChIInChI=1S/C26H20F6N2O6/c1-10-7-11(3-5-16(10)35)24(25(27,28)29,26(30,31)32)12-4-6-17(36)15(8-12)34-21(38)14-9-13-18(19(14)23(34)40)22(39)33(2)20(13)37/h3-8,13-14,18-19,35-36H,9H2,1-2H3
InChIKeyGPTJWVWLCDMMOM-UHFFFAOYSA-N
XLogP3.56
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone 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 4-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone?
The IUPAC name of 4-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone (CID 59941716) is 4-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone.
What is the SMILES notation for 4-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone?
The canonical SMILES for 4-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone is Cc1cc(C(c2ccc(O)c(N3C(=O)C4CC5C(=O)N(C)C(=O)C5C4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O.
What is the InChIKey of 4-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone?
The InChIKey is GPTJWVWLCDMMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F6N2O6/c1-10-7-11(3-5-16(10)35)24(25(27,28)29,26(30,31)32)12-4-6-17(36)15(8-12)34-21(38)14-9-13-18(19(14)23(34)40)22(39)33(2)20(13)37/h3-8,13-14,18-19,35-36H,9H2,1-2H3.
What are the key properties of 4-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone?
4-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone has a molecular weight of 570.44 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-10-methyl-4,10-diazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone is sourced from PubChem (CID 59941716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).