3-[3-(4-chlorophenyl)-6-methoxy-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one

C24H26ClNO4 — CID 54702740

About 3-[3-(4-chlorophenyl)-6-methoxy-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one

3-[3-(4-chlorophenyl)-6-methoxy-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 54702740) has the molecular formula C24H26ClNO4 and a molecular weight of 427.93 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-6-methoxy-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

• Compound Name: 3-[3-(4-chlorophenyl)-6-methoxy-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
• PubChem CID: 54702740
• Molecular Formula: C24H26ClNO4
• Molecular Weight: 427.93 g/mol
• Exact Mass: 427.16
• IUPAC Name: 3-[3-(4-chlorophenyl)-6-methoxy-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
• SMILES: COc1ccc(-c2ccc(Cl)cc2)c(C)c1C1=C(O)C2(CCC(OC)CC2)NC1=O
• InChI: InChI=1S/C24H26ClNO4/c1-14-18(15-4-6-16(25)7-5-15)8-9-19(30-3)20(14)21-22(27)24(26-23(21)28)12-10-17(29-2)11-13-24/h4-9,17,27H,10-13H2,1-3H3,(H,26,28)
• InChIKey: FIMJYLJRNFBWDU-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 67.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.93
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-6-methoxy-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one?

The IUPAC name of 3-[3-(4-chlorophenyl)-6-methoxy-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one (CID 54702740) is 3-[3-(4-chlorophenyl)-6-methoxy-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one.

What is the SMILES notation for 3-[3-(4-chlorophenyl)-6-methoxy-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one?

The canonical SMILES for 3-[3-(4-chlorophenyl)-6-methoxy-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one is COc1ccc(-c2ccc(Cl)cc2)c(C)c1C1=C(O)C2(CCC(OC)CC2)NC1=O.

What is the InChIKey of 3-[3-(4-chlorophenyl)-6-methoxy-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one?

The InChIKey is FIMJYLJRNFBWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO4/c1-14-18(15-4-6-16(25)7-5-15)8-9-19(30-3)20(14)21-22(27)24(26-23(21)28)12-10-17(29-2)11-13-24/h4-9,17,27H,10-13H2,1-3H3,(H,26,28).

What are the key properties of 3-[3-(4-chlorophenyl)-6-methoxy-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one?

3-[3-(4-chlorophenyl)-6-methoxy-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 427.93 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-chlorophenyl)-6-methoxy-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 54702740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).