2-[(E)-[(2,4-dinitrophenyl)-ethylhydrazinylidene]methyl]phenol

C15H14N4O5 — CID 135717215

IUPAC2-[(E)-[(2,4-dinitrophenyl)-ethylhydrazinylidene]methyl]phenol
SMILESCCN(/N=C/c1ccccc1O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H14N4O5/c1-2-17(16-10-11-5-3-4-6-15(11)20)13-8-7-12(18(21)22)9-14(13)19(23)24/h3-10,20H,2H2,1H3/b16-10+
InChIKeyDETGUPQDNYIYDH-MHWRWJLKSA-N
MW330.30 g/mol
LogP3.07
Rot. Bonds6

About 2-[(E)-[(2,4-dinitrophenyl)-ethylhydrazinylidene]methyl]phenol

2-[(E)-[(2,4-dinitrophenyl)-ethylhydrazinylidene]methyl]phenol (PubChem CID 135717215) has the molecular formula C15H14N4O5 and a molecular weight of 330.30 g/mol. Its IUPAC name is 2-[(E)-[(2,4-dinitrophenyl)-ethylhydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(2,4-dinitrophenyl)-ethylhydrazinylidene]methyl]phenol
PubChem CID135717215
Molecular FormulaC15H14N4O5
Molecular Weight330.30 g/mol
Exact Mass330.10
IUPAC Name2-[(E)-[(2,4-dinitrophenyl)-ethylhydrazinylidene]methyl]phenol
SMILESCCN(/N=C/c1ccccc1O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H14N4O5/c1-2-17(16-10-11-5-3-4-6-15(11)20)13-8-7-12(18(21)22)9-14(13)19(23)24/h3-10,20H,2H2,1H3/b16-10+
InChIKeyDETGUPQDNYIYDH-MHWRWJLKSA-N
XLogP3.07
TPSA122.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
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-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol
CID 177498703
(NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine
CID 126012263
2-[(2,4-dinitrophenyl)methylideneamino]phenol
CID 102417808
2-[(2-amino-5-nitrophenyl)iminomethyl]phenol
CID 136877308
N-[(E)-(2,4-dinitrophenyl)methylideneamino]-N-phenylaniline
CID 139085698
5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135559916
2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol
CID 3614500
2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
2-(N-methyl-2,4-dinitroanilino)acetate
CID 7099160
N,N-dibutyl-2,4-dinitroaniline
CID 15758071
2-(2,4-dinitro-N-propylanilino)ethanol
CID 61425574
(2,4-dinitrophenyl)-methylcarbamic acid
CID 163792600

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(2,4-dinitrophenyl)-ethylhydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(2,4-dinitrophenyl)-ethylhydrazinylidene]methyl]phenol (CID 135717215) is 2-[(E)-[(2,4-dinitrophenyl)-ethylhydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(2,4-dinitrophenyl)-ethylhydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(2,4-dinitrophenyl)-ethylhydrazinylidene]methyl]phenol is CCN(/N=C/c1ccccc1O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-[(E)-[(2,4-dinitrophenyl)-ethylhydrazinylidene]methyl]phenol?
The InChIKey is DETGUPQDNYIYDH-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N4O5/c1-2-17(16-10-11-5-3-4-6-15(11)20)13-8-7-12(18(21)22)9-14(13)19(23)24/h3-10,20H,2H2,1H3/b16-10+.
What are the key properties of 2-[(E)-[(2,4-dinitrophenyl)-ethylhydrazinylidene]methyl]phenol?
2-[(E)-[(2,4-dinitrophenyl)-ethylhydrazinylidene]methyl]phenol has a molecular weight of 330.30 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(2,4-dinitrophenyl)-ethylhydrazinylidene]methyl]phenol is sourced from PubChem (CID 135717215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).