3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methoxyphenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

C34H34F6N2O7 — CID 87198339

About 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methoxyphenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methoxyphenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (PubChem CID 87198339) has the molecular formula C34H34F6N2O7 and a molecular weight of 696.64 g/mol. Its IUPAC name is 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methoxyphenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methoxyphenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
• PubChem CID: 87198339
• Molecular Formula: C34H34F6N2O7
• Molecular Weight: 696.64 g/mol
• Exact Mass: 696.23
• IUPAC Name: 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methoxyphenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
• SMILES: CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c(OC)c1
• InChI: InChI=1S/C34H34F6N2O7/c1-6-7-20-16-22(32(46,33(35,36)37)34(38,39)40)10-15-27(20)49-24-13-14-25(28(17-24)47-5)26(43)18-42-29(44)31(4,41-30(42)45)21-8-11-23(12-9-21)48-19(2)3/h8-17,19,46H,6-7,18H2,1-5H3,(H,41,45)
• InChIKey: VIBZMEWMIKJKPT-UHFFFAOYSA-N
• XLogP: 7.19
• TPSA: 114.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.64
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methoxyphenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?

The IUPAC name of 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methoxyphenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (CID 87198339) is 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methoxyphenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.

What is the SMILES notation for 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methoxyphenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?

The canonical SMILES for 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methoxyphenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c(OC)c1.

What is the InChIKey of 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methoxyphenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?

The InChIKey is VIBZMEWMIKJKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F6N2O7/c1-6-7-20-16-22(32(46,33(35,36)37)34(38,39)40)10-15-27(20)49-24-13-14-25(28(17-24)47-5)26(43)18-42-29(44)31(4,41-30(42)45)21-8-11-23(12-9-21)48-19(2)3/h8-17,19,46H,6-7,18H2,1-5H3,(H,41,45).

What are the key properties of 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methoxyphenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?

3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methoxyphenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione has a molecular weight of 696.64 g/mol, XLogP of 7.19, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methoxyphenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 87198339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).