4-ethyl-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenol

C15H14N2O4 — CID 3570145

IUPAC4-ethyl-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenol
SMILESCCc1ccc(O)c(/N=C/c2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C15H14N2O4/c1-2-10-3-5-15(19)13(7-10)16-9-11-8-12(17(20)21)4-6-14(11)18/h3-9,18-19H,2H2,1H3/b16-9+
InChIKeyDYUDRWPTYABREU-CXUHLZMHSA-N
MW286.29 g/mol
LogP3.32
Rot. Bonds4

About 4-ethyl-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenol

4-ethyl-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenol (PubChem CID 3570145) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-ethyl-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenol.

Molecular Properties

Compound Name4-ethyl-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenol
PubChem CID3570145
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-ethyl-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenol
SMILESCCc1ccc(O)c(/N=C/c2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C15H14N2O4/c1-2-10-3-5-15(19)13(7-10)16-9-11-8-12(17(20)21)4-6-14(11)18/h3-9,18-19H,2H2,1H3/b16-9+
InChIKeyDYUDRWPTYABREU-CXUHLZMHSA-N
XLogP3.32
TPSA95.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenol?
The IUPAC name of 4-ethyl-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenol (CID 3570145) is 4-ethyl-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenol.
What is the SMILES notation for 4-ethyl-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenol?
The canonical SMILES for 4-ethyl-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenol is CCc1ccc(O)c(/N=C/c2cc([N+](=O)[O-])ccc2O)c1.
What is the InChIKey of 4-ethyl-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenol?
The InChIKey is DYUDRWPTYABREU-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-2-10-3-5-15(19)13(7-10)16-9-11-8-12(17(20)21)4-6-14(11)18/h3-9,18-19H,2H2,1H3/b16-9+.
What are the key properties of 4-ethyl-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenol?
4-ethyl-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenol has a molecular weight of 286.29 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenol is sourced from PubChem (CID 3570145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).