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

C14H13N3O4 — CID 135559917

IUPAC2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccccc2[N+](=O)[O-])ccc1O
InChIInChI=1S/C14H13N3O4/c1-21-14-8-10(6-7-13(14)18)9-15-16-11-4-2-3-5-12(11)17(19)20/h2-9,16,18H,1H3/b15-9+
InChIKeyOYNXQDDWVKSFAF-OQLLNIDSSA-N
MW287.28 g/mol
LogP2.76
Rot. Bonds5

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

2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135559917) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID135559917
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccccc2[N+](=O)[O-])ccc1O
InChIInChI=1S/C14H13N3O4/c1-21-14-8-10(6-7-13(14)18)9-15-16-11-4-2-3-5-12(11)17(19)20/h2-9,16,18H,1H3/b15-9+
InChIKeyOYNXQDDWVKSFAF-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-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-nitroaniline
CID 9059222
N,N-diethyl-4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135615876
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-nitroaniline
CID 4567165
4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 135684425
N-(4-chlorophenyl)-4-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135932742
N-(3-chlorophenyl)-4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135679526
1-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(2-nitrophenyl)thiourea
CID 4525471
N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]-2-nitroaniline
CID 9059090
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-nitroaniline
CID 6186932
4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 3280736
4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 136671550
4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 3525992

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol (CID 135559917) is 2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol is COc1cc(/C=N/Nc2ccccc2[N+](=O)[O-])ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is OYNXQDDWVKSFAF-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-21-14-8-10(6-7-13(14)18)9-15-16-11-4-2-3-5-12(11)17(19)20/h2-9,16,18H,1H3/b15-9+.
What are the key properties of 2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
2-methoxy-4-[(E)-[(2-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)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135559917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).