2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol

C14H12N4O5 — CID 137129355

IUPAC2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol
SMILESCc1ccc(O)c(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1
InChIInChI=1S/C14H12N4O5/c1-9-2-5-14(19)10(6-9)8-15-16-12-4-3-11(17(20)21)7-13(12)18(22)23/h2-8,16,19H,1H3/b15-8-
InChIKeyJKDYISLSSYOLAL-NVNXTCNLSA-N
MW316.27 g/mol
LogP2.96
Rot. Bonds5

About 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol

2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol (PubChem CID 137129355) has the molecular formula C14H12N4O5 and a molecular weight of 316.27 g/mol. Its IUPAC name is 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol
PubChem CID137129355
Molecular FormulaC14H12N4O5
Molecular Weight316.27 g/mol
Exact Mass316.08
IUPAC Name2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol
SMILESCc1ccc(O)c(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1
InChIInChI=1S/C14H12N4O5/c1-9-2-5-14(19)10(6-9)8-15-16-12-4-3-11(17(20)21)7-13(12)18(22)23/h2-8,16,19H,1H3/b15-8-
InChIKeyJKDYISLSSYOLAL-NVNXTCNLSA-N
XLogP2.96
TPSA130.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 137122714
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135533486
N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline
CID 3936149
2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol
CID 4227419
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135442992
5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135559916
2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 5173716
N-[(4-methyl-3-pyridinyl)methylideneamino]-2,4-dinitroaniline
CID 2752399
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
4-chloro-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3,5-dimethyl-6-nitrophenol
CID 136782887

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol?
The IUPAC name of 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol (CID 137129355) is 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol.
What is the SMILES notation for 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol?
The canonical SMILES for 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol is Cc1ccc(O)c(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1.
What is the InChIKey of 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol?
The InChIKey is JKDYISLSSYOLAL-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H12N4O5/c1-9-2-5-14(19)10(6-9)8-15-16-12-4-3-11(17(20)21)7-13(12)18(22)23/h2-8,16,19H,1H3/b15-8-.
What are the key properties of 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol?
2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol has a molecular weight of 316.27 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol is sourced from PubChem (CID 137129355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).