AC1NNQMP
3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-5,5-dimethylcyclohex-2-en-1-one
Also Known As: CBMicro_032347|Oprea1_533912|BIM-0032479.P001|3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-5,5-dimethylcyclohex-2-en-1-one|2,2'-{[3-(hydroxymethyl)-4-methoxyphenyl]methylene}bis(3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one)|2,2'-{[3-(Hydroxymethyl)-4-methoxyphenyl]methylene}bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
| Molecular Formula | C25H32O6 |
|---|---|
| Molecular Weight | 428.21988 g/mol |
| LogP | 4.6735 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.21988 |
| Monoisotopic Mass | 428.21988 |
| Heavy Atoms | 31 |
| Complexity | 927.7264 |
Chemical Identifiers
| CAS Number | 5686-05-5 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(C2=CC(=C(C=C2)OC)CO)C3=C(CC(CC3=O)(C)C)O)O)C |
Product Overview
AC1NNQMP (CAS 5686-05-5), with molecular formula C25H32O6 and molecular weight 428.21988 g/mol. IUPAC: 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-5,5-dimethylcyclohex-2-en-1-one.