2-[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid

C22H23N3O4 — CID 142161036

About 2-[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid

2-[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid (PubChem CID 142161036) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid.

Molecular Properties

• Compound Name: 2-[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid
• PubChem CID: 142161036
• Molecular Formula: C22H23N3O4
• Molecular Weight: 393.44 g/mol
• Exact Mass: 393.17
• IUPAC Name: 2-[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid
• SMILES: CCc1nc(C)nc(OC(C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1
• InChI: InChI=1S/C22H23N3O4/c1-4-18-23-15(2)24-21(25-18)29-19(20(26)27)22(28-3,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,19H,4H2,1-3H3,(H,26,27)
• InChIKey: BQMLBDYIQOSENF-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 94.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.44
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid?

The IUPAC name of 2-[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid (CID 142161036) is 2-[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid.

What is the SMILES notation for 2-[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid?

The canonical SMILES for 2-[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid is CCc1nc(C)nc(OC(C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1.

What is the InChIKey of 2-[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid?

The InChIKey is BQMLBDYIQOSENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-4-18-23-15(2)24-21(25-18)29-19(20(26)27)22(28-3,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,19H,4H2,1-3H3,(H,26,27).

What are the key properties of 2-[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid?

2-[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid has a molecular weight of 393.44 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid is sourced from PubChem (CID 142161036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).