4-bromo-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(4-ethylphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(3-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methyl-4-nitrophenyl)iminomethyl]-6-nitrophenol;4-bromo-2-(naphthalen-1-yliminomethyl)-6-nitrophenol;4-bromo-2-nitro-6-[(2-propylphenyl)iminomethyl]phenol;ethyl 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoate

C134H106Br9N19O35 — CID 162100065

IUPAC4-bromo-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(4-ethylphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(3-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methyl-4-nitrophenyl)iminomethyl]-6-nitrophenol;4-bromo-2-(naphthalen-1-yliminomethyl)-6-nitrophenol;4-bromo-2-nitro-6-[(2-propylphenyl)iminomethyl]phenol;ethyl 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoate
SMILESCCCc1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O.CCOC(=O)c1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O.CCOc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1.CCc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1.COc1cccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1.COc1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O.Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O.O=[N+]([O-])c1cc(Br)cc(/C=N/c2cccc3ccccc23)c1O.O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccccc2O)c1O
InChIInChI=1S/C17H11BrN2O3.C16H13BrN2O5.C16H15BrN2O3.C15H13BrN2O4.C15H13BrN2O3.C14H10BrN3O5.2C14H11BrN2O4.C13H9BrN2O4/c18-13-8-12(17(21)16(9-13)20(22)23)10-19-15-7-3-5-11-4-1-2-6-14(11)15;1-2-24-16(21)12-5-3-4-6-13(12)18-9-10-7-11(17)8-14(15(10)20)19(22)23;1-2-5-11-6-3-4-7-14(11)18-10-12-8-13(17)9-15(16(12)20)19(21)22;1-2-22-13-5-3-12(4-6-13)17-9-10-7-11(16)8-14(15(10)19)18(20)21;1-2-10-3-5-13(6-4-10)17-9-11-7-12(16)8-14(15(11)19)18(20)21;1-8-4-11(17(20)21)2-3-12(8)16-7-9-5-10(15)6-13(14(9)19)18(22)23;1-21-12-4-2-3-11(7-12)16-8-9-5-10(15)6-13(14(9)18)17(19)20;1-21-13-5-3-2-4-11(13)16-8-9-6-10(15)7-12(14(9)18)17(19)20;14-9-5-8(13(18)11(6-9)16(19)20)7-15-10-3-1-2-4-12(10)17/h1-10,21H;3-9,20H,2H2,1H3;3-4,6-10,20H,2,5H2,1H3;3-9,19H,2H2,1H3;3-9,19H,2H2,1H3;2-7,19H,1H3;2*2-8,18H,1H3;1-7,17-18H/b19-10+;18-9+;18-10+;2*17-9+;16-7+;2*16-8+;15-7+
InChIKeyZETKMMISCGZPDR-RRTAUMMDSA-N
MW3261.56 g/mol
LogP37.50
Rot. Bonds37

About 4-bromo-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(4-ethylphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(3-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methyl-4-nitrophenyl)iminomethyl]-6-nitrophenol;4-bromo-2-(naphthalen-1-yliminomethyl)-6-nitrophenol;4-bromo-2-nitro-6-[(2-propylphenyl)iminomethyl]phenol;ethyl 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoate

4-bromo-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(4-ethylphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(3-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methyl-4-nitrophenyl)iminomethyl]-6-nitrophenol;4-bromo-2-(naphthalen-1-yliminomethyl)-6-nitrophenol;4-bromo-2-nitro-6-[(2-propylphenyl)iminomethyl]phenol;ethyl 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoate (PubChem CID 162100065) has the molecular formula C134H106Br9N19O35 and a molecular weight of 3261.56 g/mol. Its IUPAC name is 4-bromo-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(4-ethylphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(3-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methyl-4-nitrophenyl)iminomethyl]-6-nitrophenol;4-bromo-2-(naphthalen-1-yliminomethyl)-6-nitrophenol;4-bromo-2-nitro-6-[(2-propylphenyl)iminomethyl]phenol;ethyl 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoate.

Molecular Properties

Compound Name4-bromo-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(4-ethylphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(3-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methyl-4-nitrophenyl)iminomethyl]-6-nitrophenol;4-bromo-2-(naphthalen-1-yliminomethyl)-6-nitrophenol;4-bromo-2-nitro-6-[(2-propylphenyl)iminomethyl]phenol;ethyl 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoate
PubChem CID162100065
Molecular FormulaC134H106Br9N19O35
Molecular Weight3261.56 g/mol
Exact Mass3250.97
IUPAC Name4-bromo-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(4-ethylphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(3-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methyl-4-nitrophenyl)iminomethyl]-6-nitrophenol;4-bromo-2-(naphthalen-1-yliminomethyl)-6-nitrophenol;4-bromo-2-nitro-6-[(2-propylphenyl)iminomethyl]phenol;ethyl 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoate
SMILESCCCc1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O.CCOC(=O)c1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O.CCOc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1.CCc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1.COc1cccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1.COc1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O.Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O.O=[N+]([O-])c1cc(Br)cc(/C=N/c2cccc3ccccc23)c1O.O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccccc2O)c1O
InChIInChI=1S/C17H11BrN2O3.C16H13BrN2O5.C16H15BrN2O3.C15H13BrN2O4.C15H13BrN2O3.C14H10BrN3O5.2C14H11BrN2O4.C13H9BrN2O4/c18-13-8-12(17(21)16(9-13)20(22)23)10-19-15-7-3-5-11-4-1-2-6-14(11)15;1-2-24-16(21)12-5-3-4-6-13(12)18-9-10-7-11(17)8-14(15(10)20)19(22)23;1-2-5-11-6-3-4-7-14(11)18-10-12-8-13(17)9-15(16(12)20)19(21)22;1-2-22-13-5-3-12(4-6-13)17-9-10-7-11(16)8-14(15(10)19)18(20)21;1-2-10-3-5-13(6-4-10)17-9-11-7-12(16)8-14(15(11)19)18(20)21;1-8-4-11(17(20)21)2-3-12(8)16-7-9-5-10(15)6-13(14(9)19)18(22)23;1-21-12-4-2-3-11(7-12)16-8-9-5-10(15)6-13(14(9)18)17(19)20;1-21-13-5-3-2-4-11(13)16-8-9-6-10(15)7-12(14(9)18)17(19)20;14-9-5-8(13(18)11(6-9)16(19)20)7-15-10-3-1-2-4-12(10)17/h1-10,21H;3-9,20H,2H2,1H3;3-4,6-10,20H,2,5H2,1H3;3-9,19H,2H2,1H3;3-9,19H,2H2,1H3;2-7,19H,1H3;2*2-8,18H,1H3;1-7,17-18H/b19-10+;18-9+;18-10+;2*17-9+;16-7+;2*16-8+;15-7+
InChIKeyZETKMMISCGZPDR-RRTAUMMDSA-N
XLogP37.50
TPSA798.93 Ų
H-Bond Donors10
H-Bond Acceptors44
Rotatable Bonds37
Heavy Atoms197
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003261.56
LogP ≤ 537.50
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', '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'}

Analyze 4-bromo-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(4-ethylphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(3-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methyl-4-nitrophenyl)iminomethyl]-6-nitrophenol;4-bromo-2-(naphthalen-1-yliminomethyl)-6-nitrophenol;4-bromo-2-nitro-6-[(2-propylphenyl)iminomethyl]phenol;ethyl 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(4-ethylphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(3-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methyl-4-nitrophenyl)iminomethyl]-6-nitrophenol;4-bromo-2-(naphthalen-1-yliminomethyl)-6-nitrophenol;4-bromo-2-nitro-6-[(2-propylphenyl)iminomethyl]phenol;ethyl 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoate?
The IUPAC name of 4-bromo-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(4-ethylphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(3-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methyl-4-nitrophenyl)iminomethyl]-6-nitrophenol;4-bromo-2-(naphthalen-1-yliminomethyl)-6-nitrophenol;4-bromo-2-nitro-6-[(2-propylphenyl)iminomethyl]phenol;ethyl 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoate (CID 162100065) is 4-bromo-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(4-ethylphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(3-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methyl-4-nitrophenyl)iminomethyl]-6-nitrophenol;4-bromo-2-(naphthalen-1-yliminomethyl)-6-nitrophenol;4-bromo-2-nitro-6-[(2-propylphenyl)iminomethyl]phenol;ethyl 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoate.
What is the SMILES notation for 4-bromo-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(4-ethylphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(3-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methyl-4-nitrophenyl)iminomethyl]-6-nitrophenol;4-bromo-2-(naphthalen-1-yliminomethyl)-6-nitrophenol;4-bromo-2-nitro-6-[(2-propylphenyl)iminomethyl]phenol;ethyl 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoate?
The canonical SMILES for 4-bromo-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(4-ethylphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(3-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methyl-4-nitrophenyl)iminomethyl]-6-nitrophenol;4-bromo-2-(naphthalen-1-yliminomethyl)-6-nitrophenol;4-bromo-2-nitro-6-[(2-propylphenyl)iminomethyl]phenol;ethyl 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoate is CCCc1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O.CCOC(=O)c1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O.CCOc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1.CCc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1.COc1cccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1.COc1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O.Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1O.O=[N+]([O-])c1cc(Br)cc(/C=N/c2cccc3ccccc23)c1O.O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccccc2O)c1O.
What is the InChIKey of 4-bromo-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(4-ethylphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(3-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methyl-4-nitrophenyl)iminomethyl]-6-nitrophenol;4-bromo-2-(naphthalen-1-yliminomethyl)-6-nitrophenol;4-bromo-2-nitro-6-[(2-propylphenyl)iminomethyl]phenol;ethyl 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoate?
The InChIKey is ZETKMMISCGZPDR-RRTAUMMDSA-N. The full InChI is InChI=1S/C17H11BrN2O3.C16H13BrN2O5.C16H15BrN2O3.C15H13BrN2O4.C15H13BrN2O3.C14H10BrN3O5.2C14H11BrN2O4.C13H9BrN2O4/c18-13-8-12(17(21)16(9-13)20(22)23)10-19-15-7-3-5-11-4-1-2-6-14(11)15;1-2-24-16(21)12-5-3-4-6-13(12)18-9-10-7-11(17)8-14(15(10)20)19(22)23;1-2-5-11-6-3-4-7-14(11)18-10-12-8-13(17)9-15(16(12)20)19(21)22;1-2-22-13-5-3-12(4-6-13)17-9-10-7-11(16)8-14(15(10)19)18(20)21;1-2-10-3-5-13(6-4-10)17-9-11-7-12(16)8-14(15(11)19)18(20)21;1-8-4-11(17(20)21)2-3-12(8)16-7-9-5-10(15)6-13(14(9)19)18(22)23;1-21-12-4-2-3-11(7-12)16-8-9-5-10(15)6-13(14(9)18)17(19)20;1-21-13-5-3-2-4-11(13)16-8-9-6-10(15)7-12(14(9)18)17(19)20;14-9-5-8(13(18)11(6-9)16(19)20)7-15-10-3-1-2-4-12(10)17/h1-10,21H;3-9,20H,2H2,1H3;3-4,6-10,20H,2,5H2,1H3;3-9,19H,2H2,1H3;3-9,19H,2H2,1H3;2-7,19H,1H3;2*2-8,18H,1H3;1-7,17-18H/b19-10+;18-9+;18-10+;2*17-9+;16-7+;2*16-8+;15-7+.
What are the key properties of 4-bromo-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(4-ethylphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(3-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methyl-4-nitrophenyl)iminomethyl]-6-nitrophenol;4-bromo-2-(naphthalen-1-yliminomethyl)-6-nitrophenol;4-bromo-2-nitro-6-[(2-propylphenyl)iminomethyl]phenol;ethyl 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoate?
4-bromo-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(4-ethylphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(3-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methyl-4-nitrophenyl)iminomethyl]-6-nitrophenol;4-bromo-2-(naphthalen-1-yliminomethyl)-6-nitrophenol;4-bromo-2-nitro-6-[(2-propylphenyl)iminomethyl]phenol;ethyl 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoate has a molecular weight of 3261.56 g/mol, XLogP of 37.50, 37 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(4-ethylphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(3-methoxyphenyl)iminomethyl]-6-nitrophenol;4-bromo-2-[(2-methyl-4-nitrophenyl)iminomethyl]-6-nitrophenol;4-bromo-2-(naphthalen-1-yliminomethyl)-6-nitrophenol;4-bromo-2-nitro-6-[(2-propylphenyl)iminomethyl]phenol;ethyl 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoate is sourced from PubChem (CID 162100065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).