2-[(3-aminooxy-5-chloro-2-hydroxyphenyl)methyl]-4-methyl-6-nitrophenol;2-[(3-aminooxy-2,5-dichlorophenyl)methyl]-4-methyl-6-nitrophenol;5-bromo-4-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]aniline;2-bromo-4-chloro-6-[(E)-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol;1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5-trifluoro-6-methyl-4-(trifluoromethyl)aniline;2-[[2-methoxy-3-[(2-methoxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]phenol

C116H109Br4Cl6F9N12O14 — CID 172959421

About 2-[(3-aminooxy-5-chloro-2-hydroxyphenyl)methyl]-4-methyl-6-nitrophenol;2-[(3-aminooxy-2,5-dichlorophenyl)methyl]-4-methyl-6-nitrophenol;5-bromo-4-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]aniline;2-bromo-4-chloro-6-[(E)-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol;1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5-trifluoro-6-methyl-4-(trifluoromethyl)aniline;2-[[2-methoxy-3-[(2-methoxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]phenol

2-[(3-aminooxy-5-chloro-2-hydroxyphenyl)methyl]-4-methyl-6-nitrophenol;2-[(3-aminooxy-2,5-dichlorophenyl)methyl]-4-methyl-6-nitrophenol;5-bromo-4-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]aniline;2-bromo-4-chloro-6-[(E)-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol;1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5-trifluoro-6-methyl-4-(trifluoromethyl)aniline;2-[[2-methoxy-3-[(2-methoxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]phenol (PubChem CID 172959421) has the molecular formula C116H109Br4Cl6F9N12O14 and a molecular weight of 2598.53 g/mol. Its IUPAC name is 2-[(3-aminooxy-5-chloro-2-hydroxyphenyl)methyl]-4-methyl-6-nitrophenol;2-[(3-aminooxy-2,5-dichlorophenyl)methyl]-4-methyl-6-nitrophenol;5-bromo-4-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]aniline;2-bromo-4-chloro-6-[(E)-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol;1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5-trifluoro-6-methyl-4-(trifluoromethyl)aniline;2-[[2-methoxy-3-[(2-methoxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]phenol.

Molecular Properties

• Compound Name: 2-[(3-aminooxy-5-chloro-2-hydroxyphenyl)methyl]-4-methyl-6-nitrophenol;2-[(3-aminooxy-2,5-dichlorophenyl)methyl]-4-methyl-6-nitrophenol;5-bromo-4-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]aniline;2-bromo-4-chloro-6-[(E)-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol;1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5-trifluoro-6-methyl-4-(trifluoromethyl)aniline;2-[[2-methoxy-3-[(2-methoxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]phenol
• PubChem CID: 172959421
• Molecular Formula: C116H109Br4Cl6F9N12O14
• Molecular Weight: 2598.53 g/mol
• Exact Mass: 2590.29
• IUPAC Name: 2-[(3-aminooxy-5-chloro-2-hydroxyphenyl)methyl]-4-methyl-6-nitrophenol;2-[(3-aminooxy-2,5-dichlorophenyl)methyl]-4-methyl-6-nitrophenol;5-bromo-4-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]aniline;2-bromo-4-chloro-6-[(E)-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol;1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5-trifluoro-6-methyl-4-(trifluoromethyl)aniline;2-[[2-methoxy-3-[(2-methoxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]phenol
• SMILES: CC(C)(C)c1ccc(Cc2ccc(Cl)cc2Cl)cc1.COc1c(Br)cc(Br)cc1/C=N/Nc1c(C)c(F)c(C(F)(F)F)c(F)c1F.COc1ccc(C)cc1Cc1cc(C)cc(Cc2ccccc2O)c1OC.Cc1cc(C(C)(C)C)c(Br)cc1N/N=C/c1ccccn1.Cc1cc(C(F)(F)F)cnc1N/N=C/c1cc(Cl)cc(Br)c1O.Cc1cc(Cc2cc(Cl)cc(ON)c2Cl)c(O)c([N+](=O)[O-])c1.Cc1cc(Cc2cc(Cl)cc(ON)c2O)c(O)c([N+](=O)[O-])c1
• InChI: InChI=1S/C24H26O3.C17H20BrN3.C17H18Cl2.C16H10Br2F6N2O.C14H10BrClF3N3O.C14H12Cl2N2O4.C14H13ClN2O5/c1-16-9-10-23(26-3)19(11-16)15-21-13-17(2)12-20(24(21)27-4)14-18-7-5-6-8-22(18)25;1-12-9-14(17(2,3)4)15(18)10-16(12)21-20-11-13-7-5-6-8-19-13;1-17(2,3)14-7-4-12(5-8-14)10-13-6-9-15(18)11-16(13)19;1-6-11(19)10(16(22,23)24)12(20)13(21)14(6)26-25-5-7-3-8(17)4-9(18)15(7)27-2;1-7-2-9(14(17,18)19)6-20-13(7)22-21-5-8-3-10(16)4-11(15)12(8)23;1-7-2-9(14(19)11(3-7)18(20)21)4-8-5-10(15)6-12(22-17)13(8)16;1-7-2-8(13(18)11(3-7)17(20)21)4-9-5-10(15)6-12(22-16)14(9)19/h5-13,25H,14-15H2,1-4H3;5-11,21H,1-4H3;4-9,11H,10H2,1-3H3;3-5,26H,1-2H3;2-6,23H,1H3,(H,20,22);2-3,5-6,19H,4,17H2,1H3;2-3,5-6,18-19H,4,16H2,1H3/b;20-11+;;25-5+;21-5+
• InChIKey: XXUWIJPXLFHUQI-VXWFIUNMSA-N
• XLogP: 33.94
• TPSA: 384.57 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2598.53
LogP ≤ 5	33.94
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminooxy-5-chloro-2-hydroxyphenyl)methyl]-4-methyl-6-nitrophenol;2-[(3-aminooxy-2,5-dichlorophenyl)methyl]-4-methyl-6-nitrophenol;5-bromo-4-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]aniline;2-bromo-4-chloro-6-[(E)-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol;1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5-trifluoro-6-methyl-4-(trifluoromethyl)aniline;2-[[2-methoxy-3-[(2-methoxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]phenol?

The IUPAC name of 2-[(3-aminooxy-5-chloro-2-hydroxyphenyl)methyl]-4-methyl-6-nitrophenol;2-[(3-aminooxy-2,5-dichlorophenyl)methyl]-4-methyl-6-nitrophenol;5-bromo-4-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]aniline;2-bromo-4-chloro-6-[(E)-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol;1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5-trifluoro-6-methyl-4-(trifluoromethyl)aniline;2-[[2-methoxy-3-[(2-methoxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]phenol (CID 172959421) is 2-[(3-aminooxy-5-chloro-2-hydroxyphenyl)methyl]-4-methyl-6-nitrophenol;2-[(3-aminooxy-2,5-dichlorophenyl)methyl]-4-methyl-6-nitrophenol;5-bromo-4-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]aniline;2-bromo-4-chloro-6-[(E)-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol;1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5-trifluoro-6-methyl-4-(trifluoromethyl)aniline;2-[[2-methoxy-3-[(2-methoxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]phenol.

What is the SMILES notation for 2-[(3-aminooxy-5-chloro-2-hydroxyphenyl)methyl]-4-methyl-6-nitrophenol;2-[(3-aminooxy-2,5-dichlorophenyl)methyl]-4-methyl-6-nitrophenol;5-bromo-4-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]aniline;2-bromo-4-chloro-6-[(E)-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol;1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5-trifluoro-6-methyl-4-(trifluoromethyl)aniline;2-[[2-methoxy-3-[(2-methoxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]phenol?

The canonical SMILES for 2-[(3-aminooxy-5-chloro-2-hydroxyphenyl)methyl]-4-methyl-6-nitrophenol;2-[(3-aminooxy-2,5-dichlorophenyl)methyl]-4-methyl-6-nitrophenol;5-bromo-4-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]aniline;2-bromo-4-chloro-6-[(E)-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol;1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5-trifluoro-6-methyl-4-(trifluoromethyl)aniline;2-[[2-methoxy-3-[(2-methoxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]phenol is CC(C)(C)c1ccc(Cc2ccc(Cl)cc2Cl)cc1.COc1c(Br)cc(Br)cc1/C=N/Nc1c(C)c(F)c(C(F)(F)F)c(F)c1F.COc1ccc(C)cc1Cc1cc(C)cc(Cc2ccccc2O)c1OC.Cc1cc(C(C)(C)C)c(Br)cc1N/N=C/c1ccccn1.Cc1cc(C(F)(F)F)cnc1N/N=C/c1cc(Cl)cc(Br)c1O.Cc1cc(Cc2cc(Cl)cc(ON)c2Cl)c(O)c([N+](=O)[O-])c1.Cc1cc(Cc2cc(Cl)cc(ON)c2O)c(O)c([N+](=O)[O-])c1.

What is the InChIKey of 2-[(3-aminooxy-5-chloro-2-hydroxyphenyl)methyl]-4-methyl-6-nitrophenol;2-[(3-aminooxy-2,5-dichlorophenyl)methyl]-4-methyl-6-nitrophenol;5-bromo-4-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]aniline;2-bromo-4-chloro-6-[(E)-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol;1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5-trifluoro-6-methyl-4-(trifluoromethyl)aniline;2-[[2-methoxy-3-[(2-methoxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]phenol?

The InChIKey is XXUWIJPXLFHUQI-VXWFIUNMSA-N. The full InChI is InChI=1S/C24H26O3.C17H20BrN3.C17H18Cl2.C16H10Br2F6N2O.C14H10BrClF3N3O.C14H12Cl2N2O4.C14H13ClN2O5/c1-16-9-10-23(26-3)19(11-16)15-21-13-17(2)12-20(24(21)27-4)14-18-7-5-6-8-22(18)25;1-12-9-14(17(2,3)4)15(18)10-16(12)21-20-11-13-7-5-6-8-19-13;1-17(2,3)14-7-4-12(5-8-14)10-13-6-9-15(18)11-16(13)19;1-6-11(19)10(16(22,23)24)12(20)13(21)14(6)26-25-5-7-3-8(17)4-9(18)15(7)27-2;1-7-2-9(14(17,18)19)6-20-13(7)22-21-5-8-3-10(16)4-11(15)12(8)23;1-7-2-9(14(19)11(3-7)18(20)21)4-8-5-10(15)6-12(22-17)13(8)16;1-7-2-8(13(18)11(3-7)17(20)21)4-9-5-10(15)6-12(22-16)14(9)19/h5-13,25H,14-15H2,1-4H3;5-11,21H,1-4H3;4-9,11H,10H2,1-3H3;3-5,26H,1-2H3;2-6,23H,1H3,(H,20,22);2-3,5-6,19H,4,17H2,1H3;2-3,5-6,18-19H,4,16H2,1H3/b;20-11+;;25-5+;21-5+;;.

What are the key properties of 2-[(3-aminooxy-5-chloro-2-hydroxyphenyl)methyl]-4-methyl-6-nitrophenol;2-[(3-aminooxy-2,5-dichlorophenyl)methyl]-4-methyl-6-nitrophenol;5-bromo-4-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]aniline;2-bromo-4-chloro-6-[(E)-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol;1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5-trifluoro-6-methyl-4-(trifluoromethyl)aniline;2-[[2-methoxy-3-[(2-methoxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]phenol?

2-[(3-aminooxy-5-chloro-2-hydroxyphenyl)methyl]-4-methyl-6-nitrophenol;2-[(3-aminooxy-2,5-dichlorophenyl)methyl]-4-methyl-6-nitrophenol;5-bromo-4-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]aniline;2-bromo-4-chloro-6-[(E)-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol;1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5-trifluoro-6-methyl-4-(trifluoromethyl)aniline;2-[[2-methoxy-3-[(2-methoxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]phenol has a molecular weight of 2598.53 g/mol, XLogP of 33.94, 26 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-aminooxy-5-chloro-2-hydroxyphenyl)methyl]-4-methyl-6-nitrophenol;2-[(3-aminooxy-2,5-dichlorophenyl)methyl]-4-methyl-6-nitrophenol;5-bromo-4-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]aniline;2-bromo-4-chloro-6-[(E)-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol;1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5-trifluoro-6-methyl-4-(trifluoromethyl)aniline;2-[[2-methoxy-3-[(2-methoxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]phenol is sourced from PubChem (CID 172959421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).