C172H226Cl20N10O13Zr10 — CID 159022611
2-(cyclohexylmethyliminomethyl)-4-methoxy-6-methylphenol;2-(cyclohexylmethyliminomethyl)-6-methylphenol;decakis(dichlorozirconium);2,4-dimethyl-6-[(2-methylcyclohexyl)iminomethyl]phenol;2,4-dimethyl-6-(methyliminomethyl)phenol;4-methoxy-2-[(2-methylcyclohexyl)iminomethyl]-6-(2-phenylpropan-2-yl)phenol;4-methoxy-2-methyl-6-[(2-methylcyclohexyl)iminomethyl]phenol;2-methyl-6-[(2-methylcyclohexyl)iminomethyl]phenol;2-methyl-6-[(2-methylcyclohexyl)iminomethyl]-4-phenylphenol;4-methyl-2-[(2-methylcyclohexyl)iminomethyl]-6-(2-phenylpropan-2-yl)phenol;2-methyl-6-(methyliminomethyl)-4-phenylphenol (PubChem CID 159022611) has the molecular formula C172H226Cl20N10O13Zr10 and a molecular weight of 4263.06 g/mol. Its IUPAC name is 2-(cyclohexylmethyliminomethyl)-4-methoxy-6-methylphenol;2-(cyclohexylmethyliminomethyl)-6-methylphenol;decakis(dichlorozirconium);2,4-dimethyl-6-[(2-methylcyclohexyl)iminomethyl]phenol;2,4-dimethyl-6-(methyliminomethyl)phenol;4-methoxy-2-[(2-methylcyclohexyl)iminomethyl]-6-(2-phenylpropan-2-yl)phenol;4-methoxy-2-methyl-6-[(2-methylcyclohexyl)iminomethyl]phenol;2-methyl-6-[(2-methylcyclohexyl)iminomethyl]phenol;2-methyl-6-[(2-methylcyclohexyl)iminomethyl]-4-phenylphenol;4-methyl-2-[(2-methylcyclohexyl)iminomethyl]-6-(2-phenylpropan-2-yl)phenol;2-methyl-6-(methyliminomethyl)-4-phenylphenol.
| Compound Name | 2-(cyclohexylmethyliminomethyl)-4-methoxy-6-methylphenol;2-(cyclohexylmethyliminomethyl)-6-methylphenol;decakis(dichlorozirconium);2,4-dimethyl-6-[(2-methylcyclohexyl)iminomethyl]phenol;2,4-dimethyl-6-(methyliminomethyl)phenol;4-methoxy-2-[(2-methylcyclohexyl)iminomethyl]-6-(2-phenylpropan-2-yl)phenol;4-methoxy-2-methyl-6-[(2-methylcyclohexyl)iminomethyl]phenol;2-methyl-6-[(2-methylcyclohexyl)iminomethyl]phenol;2-methyl-6-[(2-methylcyclohexyl)iminomethyl]-4-phenylphenol;4-methyl-2-[(2-methylcyclohexyl)iminomethyl]-6-(2-phenylpropan-2-yl)phenol;2-methyl-6-(methyliminomethyl)-4-phenylphenol |
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| PubChem CID | 159022611 |
| Molecular Formula | C172H226Cl20N10O13Zr10 |
| Molecular Weight | 4263.06 g/mol |
| Exact Mass | 4238.16 |
| IUPAC Name | 2-(cyclohexylmethyliminomethyl)-4-methoxy-6-methylphenol;2-(cyclohexylmethyliminomethyl)-6-methylphenol;decakis(dichlorozirconium);2,4-dimethyl-6-[(2-methylcyclohexyl)iminomethyl]phenol;2,4-dimethyl-6-(methyliminomethyl)phenol;4-methoxy-2-[(2-methylcyclohexyl)iminomethyl]-6-(2-phenylpropan-2-yl)phenol;4-methoxy-2-methyl-6-[(2-methylcyclohexyl)iminomethyl]phenol;2-methyl-6-[(2-methylcyclohexyl)iminomethyl]phenol;2-methyl-6-[(2-methylcyclohexyl)iminomethyl]-4-phenylphenol;4-methyl-2-[(2-methylcyclohexyl)iminomethyl]-6-(2-phenylpropan-2-yl)phenol;2-methyl-6-(methyliminomethyl)-4-phenylphenol |
| SMILES | C/N=C/c1cc(-c2ccccc2)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.COc1cc(/C=N/C2CCCCC2C)c(O)c(C(C)(C)c2ccccc2)c1.COc1cc(C)c(O)c(/C=N/C2CCCCC2C)c1.COc1cc(C)c(O)c(/C=N/CC2CCCCC2)c1.Cc1cc(-c2ccccc2)cc(/C=N/C2CCCCC2C)c1O.Cc1cc(/C=N/C2CCCCC2C)c(O)c(C(C)(C)c2ccccc2)c1.Cc1cc(C)c(O)c(/C=N/C2CCCCC2C)c1.Cc1cccc(/C=N/C2CCCCC2C)c1O.Cc1cccc(/C=N/CC2CCCCC2)c1O.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl |
| InChI | InChI=1S/C24H31NO2.C24H31NO.C21H25NO.2C16H23NO2.C16H23NO.C15H21NO.C15H15NO.C15H21NO.C10H13NO.20ClH.10Zr/c1-17-10-8-9-13-22(17)25-16-18-14-20(27-4)15-21(23(18)26)24(2,3)19-11-6-5-7-12-19;1-17-14-19(16-25-22-13-9-8-10-18(22)2)23(26)21(15-17)24(3,4)20-11-6-5-7-12-20;1-15-8-6-7-11-20(15)22-14-19-13-18(12-16(2)21(19)23)17-9-4-3-5-10-17;1-11-6-4-5-7-15(11)17-10-13-9-14(19-3)8-12(2)16(13)18;1-12-8-15(19-2)9-14(16(12)18)11-17-10-13-6-4-3-5-7-13;1-11-8-13(3)16(18)14(9-11)10-17-15-7-5-4-6-12(15)2;1-11-6-3-4-9-14(11)16-10-13-8-5-7-12(2)15(13)17;1-11-8-13(12-6-4-3-5-7-12)9-14(10-16-2)15(11)17;1-12-6-5-9-14(15(12)17)11-16-10-13-7-3-2-4-8-13;1-7-4-8(2)10(12)9(5-7)6-11-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-7,11-12,14-17,22,26H,8-10,13H2,1-4H3;5-7,11-12,14-16,18,22,26H,8-10,13H2,1-4H3;3-5,9-10,12-15,20,23H,6-8,11H2,1-2H3;8-11,15,18H,4-7H2,1-3H3;8-9,11,13,18H,3-7,10H2,1-2H3;8-10,12,15,18H,4-7H2,1-3H3;5,7-8,10-11,14,17H,3-4,6,9H2,1-2H3;3-10,17H,1-2H3;5-6,9,11,13,17H,2-4,7-8,10H2,1H3;4-6,12H,1-3H3;20*1H;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*+2/p-20/b2*25-16+;22-14+;17-10+;17-11+;17-10+;2*16-10+;16-11+;11-6+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; |
| InChIKey | AEMIAPJMIXEKGJ-QUPRHFOBSA-A |
| XLogP | 55.17 |
| TPSA | 353.59 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 225 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4263.06 |
| LogP ≤ 5 | 55.17 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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