3-(4-chloro-2,6-dimethylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(2-methoxyethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(methoxymethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-methoxy-3-(2,4,6-trichloro-3-methylphenyl)-1-azaspiro[4.5]dec-3-en-2-one

C113H142Cl6N6O18 — CID 159502766

About 3-(4-chloro-2,6-dimethylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(2-methoxyethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(methoxymethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-methoxy-3-(2,4,6-trichloro-3-methylphenyl)-1-azaspiro[4.5]dec-3-en-2-one

3-(4-chloro-2,6-dimethylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(2-methoxyethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(methoxymethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-methoxy-3-(2,4,6-trichloro-3-methylphenyl)-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 159502766) has the molecular formula C113H142Cl6N6O18 and a molecular weight of 2085.12 g/mol. Its IUPAC name is 3-(4-chloro-2,6-dimethylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(2-methoxyethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(methoxymethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-methoxy-3-(2,4,6-trichloro-3-methylphenyl)-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

• Compound Name: 3-(4-chloro-2,6-dimethylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(2-methoxyethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(methoxymethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-methoxy-3-(2,4,6-trichloro-3-methylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
• PubChem CID: 159502766
• Molecular Formula: C113H142Cl6N6O18
• Molecular Weight: 2085.12 g/mol
• Exact Mass: 2080.85
• IUPAC Name: 3-(4-chloro-2,6-dimethylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(2-methoxyethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(methoxymethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-methoxy-3-(2,4,6-trichloro-3-methylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
• SMILES: COC1CCC2(CC1)NC(=O)C(c1c(Cl)cc(Cl)c(C)c1Cl)=C2O.COC1CCC2(CC1)NC(=O)C(c1cc(C)ccc1C)=C2O.COCC1CCC2(CC1)NC(=O)C(c1c(C)cc(C)cc1C)=C2O.COCC1CCC2(CC1)NC(=O)C(c1c(C)cc(Cl)cc1C)=C2O.COCC1CCC2(CC1)NC(=O)C(c1c(C)cc(Cl)cc1Cl)=C2O.COCCC1CCC2(CC1)NC(=O)C(c1c(C)cc(C)cc1C)=C2O
• InChI: InChI=1S/C21H29NO3.C20H27NO3.C19H24ClNO3.C18H21Cl2NO3.C18H23NO3.C17H18Cl3NO3/c1-13-11-14(2)17(15(3)12-13)18-19(23)21(22-20(18)24)8-5-16(6-9-21)7-10-25-4;1-12-9-13(2)16(14(3)10-12)17-18(22)20(21-19(17)23)7-5-15(6-8-20)11-24-4;1-11-8-14(20)9-12(2)15(11)16-17(22)19(21-18(16)23)6-4-13(5-7-19)10-24-3;1-10-7-12(19)8-13(20)14(10)15-16(22)18(21-17(15)23)5-3-11(4-6-18)9-24-2;1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18;1-8-10(18)7-11(19)12(14(8)20)13-15(22)17(21-16(13)23)5-3-9(24-2)4-6-17/h11-12,16,23H,5-10H2,1-4H3,(H,22,24);9-10,15,22H,5-8,11H2,1-4H3,(H,21,23);8-9,13,22H,4-7,10H2,1-3H3,(H,21,23);7-8,11,22H,3-6,9H2,1-2H3,(H,21,23);4-5,10,13,20H,6-9H2,1-3H3,(H,19,21);7,9,22H,3-6H2,1-2H3,(H,21,23)
• InChIKey: LZPGJHJHQVRIAL-UHFFFAOYSA-N
• XLogP: 23.48
• TPSA: 351.36 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2085.12
LogP ≤ 5	23.48
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,6-dimethylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(2-methoxyethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(methoxymethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-methoxy-3-(2,4,6-trichloro-3-methylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?

The IUPAC name of 3-(4-chloro-2,6-dimethylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(2-methoxyethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(methoxymethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-methoxy-3-(2,4,6-trichloro-3-methylphenyl)-1-azaspiro[4.5]dec-3-en-2-one (CID 159502766) is 3-(4-chloro-2,6-dimethylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(2-methoxyethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(methoxymethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-methoxy-3-(2,4,6-trichloro-3-methylphenyl)-1-azaspiro[4.5]dec-3-en-2-one.

What is the SMILES notation for 3-(4-chloro-2,6-dimethylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(2-methoxyethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(methoxymethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-methoxy-3-(2,4,6-trichloro-3-methylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?

The canonical SMILES for 3-(4-chloro-2,6-dimethylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(2-methoxyethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(methoxymethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-methoxy-3-(2,4,6-trichloro-3-methylphenyl)-1-azaspiro[4.5]dec-3-en-2-one is COC1CCC2(CC1)NC(=O)C(c1c(Cl)cc(Cl)c(C)c1Cl)=C2O.COC1CCC2(CC1)NC(=O)C(c1cc(C)ccc1C)=C2O.COCC1CCC2(CC1)NC(=O)C(c1c(C)cc(C)cc1C)=C2O.COCC1CCC2(CC1)NC(=O)C(c1c(C)cc(Cl)cc1C)=C2O.COCC1CCC2(CC1)NC(=O)C(c1c(C)cc(Cl)cc1Cl)=C2O.COCCC1CCC2(CC1)NC(=O)C(c1c(C)cc(C)cc1C)=C2O.

What is the InChIKey of 3-(4-chloro-2,6-dimethylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(2-methoxyethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(methoxymethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-methoxy-3-(2,4,6-trichloro-3-methylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?

The InChIKey is LZPGJHJHQVRIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3.C20H27NO3.C19H24ClNO3.C18H21Cl2NO3.C18H23NO3.C17H18Cl3NO3/c1-13-11-14(2)17(15(3)12-13)18-19(23)21(22-20(18)24)8-5-16(6-9-21)7-10-25-4;1-12-9-13(2)16(14(3)10-12)17-18(22)20(21-19(17)23)7-5-15(6-8-20)11-24-4;1-11-8-14(20)9-12(2)15(11)16-17(22)19(21-18(16)23)6-4-13(5-7-19)10-24-3;1-10-7-12(19)8-13(20)14(10)15-16(22)18(21-17(15)23)5-3-11(4-6-18)9-24-2;1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18;1-8-10(18)7-11(19)12(14(8)20)13-15(22)17(21-16(13)23)5-3-9(24-2)4-6-17/h11-12,16,23H,5-10H2,1-4H3,(H,22,24);9-10,15,22H,5-8,11H2,1-4H3,(H,21,23);8-9,13,22H,4-7,10H2,1-3H3,(H,21,23);7-8,11,22H,3-6,9H2,1-2H3,(H,21,23);4-5,10,13,20H,6-9H2,1-3H3,(H,19,21);7,9,22H,3-6H2,1-2H3,(H,21,23).

What are the key properties of 3-(4-chloro-2,6-dimethylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(2-methoxyethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(methoxymethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-methoxy-3-(2,4,6-trichloro-3-methylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?

3-(4-chloro-2,6-dimethylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(2-methoxyethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(methoxymethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-methoxy-3-(2,4,6-trichloro-3-methylphenyl)-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 2085.12 g/mol, XLogP of 23.48, 17 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chloro-2,6-dimethylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-(methoxymethyl)-1-azaspiro[4.5]dec-3-en-2-one;3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(2-methoxyethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-(methoxymethyl)-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;4-hydroxy-8-methoxy-3-(2,4,6-trichloro-3-methylphenyl)-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 159502766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).