4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol

C15H14N2O3 — CID 690293

IUPAC4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol
SMILESCCc1ccc(O)c(/N=C/c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H14N2O3/c1-2-11-6-7-15(18)14(9-11)16-10-12-4-3-5-13(8-12)17(19)20/h3-10,18H,2H2,1H3/b16-10+
InChIKeyNVPKJNWDRQXFEC-MHWRWJLKSA-N
MW270.29 g/mol
LogP3.61
Rot. Bonds4

About 4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol

4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol (PubChem CID 690293) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol.

Molecular Properties

Compound Name4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol
PubChem CID690293
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol
SMILESCCc1ccc(O)c(/N=C/c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H14N2O3/c1-2-11-6-7-15(18)14(9-11)16-10-12-4-3-5-13(8-12)17(19)20/h3-10,18H,2H2,1H3/b16-10+
InChIKeyNVPKJNWDRQXFEC-MHWRWJLKSA-N
XLogP3.61
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', '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-[3-(3-nitrophenyl)prop-2-enylideneamino]-4-propylphenol
CID 3469815
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
CID 690997
2-(benzylideneamino)-4-tert-butylphenol;4-tert-butyl-2-[(3-nitrophenyl)methylamino]phenol
CID 161330187
N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine
CID 5105784
4-ethyl-2-[(2-methyl-3-nitrophenyl)diazenyl]phenol
CID 3359294
2-[(4-chloro-3-nitrophenyl)methylideneamino]-4-[[3-[(4-chloro-3-nitrophenyl)methylideneamino]-4-hydroxyphenyl]methyl]phenol
CID 171980289
N-(2,4-difluorophenyl)-1-(3-nitrophenyl)methanimine
CID 122707231
cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide
CID 46196484
N-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
N-[(3-nitrophenyl)methylideneamino]propan-2-imine
CID 778583
N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine
CID 927284

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol?
The IUPAC name of 4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol (CID 690293) is 4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol.
What is the SMILES notation for 4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol?
The canonical SMILES for 4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol is CCc1ccc(O)c(/N=C/c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol?
The InChIKey is NVPKJNWDRQXFEC-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-11-6-7-15(18)14(9-11)16-10-12-4-3-5-13(8-12)17(19)20/h3-10,18H,2H2,1H3/b16-10+.
What are the key properties of 4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol?
4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol has a molecular weight of 270.29 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol is sourced from PubChem (CID 690293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).