[3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]methylidenehydrazine

C16H17N3O4 — CID 168531006

IUPAC[3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]methylidenehydrazine
SMILESCOc1cc(C=NN)ccc1OCc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O4/c1-11-3-5-13(14(7-11)19(20)21)10-23-15-6-4-12(9-18-17)8-16(15)22-2/h3-9H,10,17H2,1-2H3
InChIKeyLETDIUQYGVRKKV-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.78
Rot. Bonds6

About [3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]methylidenehydrazine

[3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]methylidenehydrazine (PubChem CID 168531006) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is [3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]methylidenehydrazine.

Molecular Properties

Compound Name[3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]methylidenehydrazine
PubChem CID168531006
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name[3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]methylidenehydrazine
SMILESCOc1cc(C=NN)ccc1OCc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O4/c1-11-3-5-13(14(7-11)19(20)21)10-23-15-6-4-12(9-18-17)8-16(15)22-2/h3-9H,10,17H2,1-2H3
InChIKeyLETDIUQYGVRKKV-UHFFFAOYSA-N
XLogP2.78
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

2-[[4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168593053
[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 78678912
[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 168530513
[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 23944748
[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazine
CID 168531004
2-amino-4-[3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407313
benzyl N'-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]carbamimidothioate
CID 168612358
2-(2,4-dimethylphenyl)-N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133145340
4-[(2-methoxy-4-methylphenoxy)methyl]-2-nitroaniline
CID 62195314
4-[3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586012
1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 64764424
1-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methyl-2-nitrobenzene
CID 2284208

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]methylidenehydrazine?
The IUPAC name of [3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]methylidenehydrazine (CID 168531006) is [3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]methylidenehydrazine.
What is the SMILES notation for [3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]methylidenehydrazine?
The canonical SMILES for [3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]methylidenehydrazine is COc1cc(C=NN)ccc1OCc1ccc(C)cc1[N+](=O)[O-].
What is the InChIKey of [3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]methylidenehydrazine?
The InChIKey is LETDIUQYGVRKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-11-3-5-13(14(7-11)19(20)21)10-23-15-6-4-12(9-18-17)8-16(15)22-2/h3-9H,10,17H2,1-2H3.
What are the key properties of [3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]methylidenehydrazine?
[3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]methylidenehydrazine has a molecular weight of 315.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]methylidenehydrazine is sourced from PubChem (CID 168531006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).