2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol

C14H13N3O4 — CID 135472427

IUPAC2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1O
InChIInChI=1S/C14H13N3O4/c1-21-14-8-10(2-7-13(14)18)9-15-16-11-3-5-12(6-4-11)17(19)20/h2-9,16,18H,1H3/b15-9+
InChIKeyQQIDWQSZAGABAG-OQLLNIDSSA-N
MW287.28 g/mol
LogP2.76
Rot. Bonds5

About 2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol

2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135472427) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID135472427
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1O
InChIInChI=1S/C14H13N3O4/c1-21-14-8-10(2-7-13(14)18)9-15-16-11-3-5-12(6-4-11)17(19)20/h2-9,16,18H,1H3/b15-9+
InChIKeyQQIDWQSZAGABAG-OQLLNIDSSA-N
XLogP2.76
TPSA96.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N'-(4-Hydroxy-3-methoxybenzylidene)-3-nitrobenzohydrazide
CID 86261405
4-Hydroxy-3-methoxybenzaldehyde phenylhydrazone
CID 135684904
3-{(E)-[2-(4-nitrophenyl)hydrazinylidene]methyl}benzene-1,2-diol
CID 135403136
2-Methoxy-6-[2-(4-nitrophenyl)carbonohydrazonoyl]phenol
CID 135623990
2-Methoxy-5-[2-(4-nitrophenyl)carbonohydrazonoyl]phenol
CID 9599642
2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135520006
3-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 9599641
p-Anisaldehyde, 3-hydroxy-, (p-bromophenyl)hydrazone
CID 9570449
N-Phenyl-N'-(3,4-dimethoxybenzylidene) hydrazine
CID 9601291
2-nitro-N-[(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 292921
N'-(3-hydroxy-4-methoxybenzylidene)-3-nitrobenzohydrazide
CID 6868965
1,3-Benzodioxole-5-carbaldehyde {2-nitrophenyl}hydrazone
CID 9623281

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol (CID 135472427) is 2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol is COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is QQIDWQSZAGABAG-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-21-14-8-10(2-7-13(14)18)9-15-16-11-3-5-12(6-4-11)17(19)20/h2-9,16,18H,1H3/b15-9+.
What are the key properties of 2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 287.28 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135472427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).