4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol

C15H13N3O4 — CID 135618942

IUPAC4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol
SMILESCOc1ccc(O)c(/C=N/N=C\c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H13N3O4/c1-22-14-5-6-15(19)12(8-14)10-17-16-9-11-3-2-4-13(7-11)18(20)21/h2-10,19H,1H3/b16-9-,17-10+
InChIKeyVJWKMDCGEIOXCP-ZAGBYUSBSA-N
MW299.29 g/mol
LogP2.76
Rot. Bonds5

About 4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol

4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol (PubChem CID 135618942) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol
PubChem CID135618942
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol
SMILESCOc1ccc(O)c(/C=N/N=C\c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H13N3O4/c1-22-14-5-6-15(19)12(8-14)10-17-16-9-11-3-2-4-13(7-11)18(20)21/h2-10,19H,1H3/b16-9-,17-10+
InChIKeyVJWKMDCGEIOXCP-ZAGBYUSBSA-N
XLogP2.76
TPSA97.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'}

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Related Compounds

4-methoxy-2-[(E)-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol
CID 135578609
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-[(3-nitrobenzoyl)amino]benzamide
CID 135957408
4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403791
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 135716312
4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline
CID 110509079
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595
N-[(3-nitrophenyl)methylideneamino]propan-2-imine
CID 778583
1-(3-methoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 5105383
4-methoxy-2-[[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 4050395
4-methoxy-N-[2-[(3-nitrophenyl)methylideneamino]ethyl]aniline
CID 100940371
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3949968

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol?
The IUPAC name of 4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol (CID 135618942) is 4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol is COc1ccc(O)c(/C=N/N=C\c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol?
The InChIKey is VJWKMDCGEIOXCP-ZAGBYUSBSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-22-14-5-6-15(19)12(8-14)10-17-16-9-11-3-2-4-13(7-11)18(20)21/h2-10,19H,1H3/b16-9-,17-10+.
What are the key properties of 4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol?
4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol has a molecular weight of 299.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(E)-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]methyl]phenol is sourced from PubChem (CID 135618942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).