4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol

C15H14N4O7 — CID 3525992

IUPAC4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC)c1O
InChIInChI=1S/C15H14N4O7/c1-25-13-5-9(6-14(26-2)15(13)20)8-16-17-11-4-3-10(18(21)22)7-12(11)19(23)24/h3-8,17,20H,1-2H3
InChIKeyPZQQJKVSPBSBCK-UHFFFAOYSA-N
MW362.30 g/mol
LogP2.67
Rot. Bonds7

About 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol

4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol (PubChem CID 3525992) has the molecular formula C15H14N4O7 and a molecular weight of 362.30 g/mol. Its IUPAC name is 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
PubChem CID3525992
Molecular FormulaC15H14N4O7
Molecular Weight362.30 g/mol
Exact Mass362.09
IUPAC Name4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC)c1O
InChIInChI=1S/C15H14N4O7/c1-25-13-5-9(6-14(26-2)15(13)20)8-16-17-11-4-3-10(18(21)22)7-12(11)19(23)24/h3-8,17,20H,1-2H3
InChIKeyPZQQJKVSPBSBCK-UHFFFAOYSA-N
XLogP2.67
TPSA149.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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,N-diethyl-4-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135599024
[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 4506105
2,4-dinitro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 5139236
2,4-dinitro-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 6282029
N,N-diethyl-2-[2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 3391598
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135442992
4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 136671550
4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 3280736
4-[(E)-[(2,4-dimethylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135608137
N-[(Z)-(4-butan-2-yloxy-3-methoxyphenyl)methylideneamino]-2,4-dinitroaniline
CID 6264604
2,6-dimethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135473372
methyl N-[4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenyl]carbamate
CID 18531970

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol (CID 3525992) is 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol is COc1cc(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC)c1O.
What is the InChIKey of 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The InChIKey is PZQQJKVSPBSBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O7/c1-25-13-5-9(6-14(26-2)15(13)20)8-16-17-11-4-3-10(18(21)22)7-12(11)19(23)24/h3-8,17,20H,1-2H3.
What are the key properties of 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol has a molecular weight of 362.30 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 3525992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).