2-methoxy-4-(4-methoxyphenyl)-5-[(E)-C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenol

C23H22N2O6 — CID 25100557

IUPAC2-methoxy-4-(4-methoxyphenyl)-5-[(E)-C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenol
SMILESCOc1ccc(-c2cc(OC)c(O)cc2/C(C)=N/OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C23H22N2O6/c1-15(24-31-14-16-4-8-18(9-5-16)25(27)28)20-12-22(26)23(30-3)13-21(20)17-6-10-19(29-2)11-7-17/h4-13,26H,14H2,1-3H3/b24-15+
InChIKeyQJHGHSYVGJSJNZ-BUVRLJJBSA-N
MW422.44 g/mol
LogP4.93
Rot. Bonds8

About 2-methoxy-4-(4-methoxyphenyl)-5-[(E)-C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenol

2-methoxy-4-(4-methoxyphenyl)-5-[(E)-C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenol (PubChem CID 25100557) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-methoxy-4-(4-methoxyphenyl)-5-[(E)-C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-(4-methoxyphenyl)-5-[(E)-C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenol
PubChem CID25100557
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name2-methoxy-4-(4-methoxyphenyl)-5-[(E)-C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenol
SMILESCOc1ccc(-c2cc(OC)c(O)cc2/C(C)=N/OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C23H22N2O6/c1-15(24-31-14-16-4-8-18(9-5-16)25(27)28)20-12-22(26)23(30-3)13-21(20)17-6-10-19(29-2)11-7-17/h4-13,26H,14H2,1-3H3/b24-15+
InChIKeyQJHGHSYVGJSJNZ-BUVRLJJBSA-N
XLogP4.93
TPSA103.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-iodo-2-methoxy-5-[C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenol
CID 140576102
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-nitrophenyl)methoxy]ethanimine
CID 59021225
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
5-[C-ethyl-N-[(4-nitrophenyl)methoxymethyl]carbonimidoyl]-4-iodo-2-methoxyphenol
CID 173382063
[2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol
CID 28964238
2-(3-hydroxy-4-phenylmethoxyphenyl)-3,6-dimethoxy-5-(4-nitrophenyl)phenol
CID 23538576
2-[(4-nitrophenyl)methoxy]guanidine
CID 23036888
(E)-5,6-dimethoxy-N-[(4-nitrophenyl)methoxy]-2,3-dihydroinden-1-imine
CID 87138614
1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene
CID 7707175
2-[3-[C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenoxy]acetic acid
CID 150433580
3-hydroxy-N-[2-[4-methoxy-3-(4-nitrophenyl)phenyl]ethyl]naphthalene-2-carboxamide
CID 11189942
7-methoxy-8-[(4-nitrophenyl)methoxy]naphthalen-2-ol
CID 71568732

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(4-methoxyphenyl)-5-[(E)-C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenol?
The IUPAC name of 2-methoxy-4-(4-methoxyphenyl)-5-[(E)-C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenol (CID 25100557) is 2-methoxy-4-(4-methoxyphenyl)-5-[(E)-C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenol.
What is the SMILES notation for 2-methoxy-4-(4-methoxyphenyl)-5-[(E)-C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenol?
The canonical SMILES for 2-methoxy-4-(4-methoxyphenyl)-5-[(E)-C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenol is COc1ccc(-c2cc(OC)c(O)cc2/C(C)=N/OCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-methoxy-4-(4-methoxyphenyl)-5-[(E)-C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenol?
The InChIKey is QJHGHSYVGJSJNZ-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-15(24-31-14-16-4-8-18(9-5-16)25(27)28)20-12-22(26)23(30-3)13-21(20)17-6-10-19(29-2)11-7-17/h4-13,26H,14H2,1-3H3/b24-15+.
What are the key properties of 2-methoxy-4-(4-methoxyphenyl)-5-[(E)-C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenol?
2-methoxy-4-(4-methoxyphenyl)-5-[(E)-C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenol has a molecular weight of 422.44 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(4-methoxyphenyl)-5-[(E)-C-methyl-N-[(4-nitrophenyl)methoxy]carbonimidoyl]phenol is sourced from PubChem (CID 25100557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).