2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol

C15H14N2O4 — CID 137059464

IUPAC2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol
SMILESCCOc1cc(/C=N/c2ccccc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H14N2O4/c1-2-21-14-9-11(8-13(15(14)18)17(19)20)10-16-12-6-4-3-5-7-12/h3-10,18H,2H2,1H3/b16-10+
InChIKeyVTQURSZXCRRPPJ-MHWRWJLKSA-N
MW286.29 g/mol
LogP3.45
Rot. Bonds5

About 2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol

2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol (PubChem CID 137059464) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol.

Molecular Properties

Compound Name2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol
PubChem CID137059464
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol
SMILESCCOc1cc(/C=N/c2ccccc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H14N2O4/c1-2-21-14-9-11(8-13(15(14)18)17(19)20)10-16-12-6-4-3-5-7-12/h3-10,18H,2H2,1H3/b16-10+
InChIKeyVTQURSZXCRRPPJ-MHWRWJLKSA-N
XLogP3.45
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-ethoxy-4-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
CID 137059492
2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 135891680
2-ethoxy-4-[(Z)-hydroxyiminomethyl]-6-nitrophenol
CID 136911315
2-[carboxymethyl-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]amino]acetic acid
CID 136786717
methyl N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 135816495
2-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol
CID 135851114
N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide
CID 50887207
2-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135601206
4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzoic acid
CID 135573756
4-[[4-[(3aR,4R,9bR)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]phenyl]iminomethyl]-2-ethoxy-6-nitrophenol
CID 137065580
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 136798711
(NZ)-N-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-4-methylbenzenesulfonamide
CID 136873760

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol?
The IUPAC name of 2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol (CID 137059464) is 2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol.
What is the SMILES notation for 2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol?
The canonical SMILES for 2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol is CCOc1cc(/C=N/c2ccccc2)cc([N+](=O)[O-])c1O.
What is the InChIKey of 2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol?
The InChIKey is VTQURSZXCRRPPJ-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-2-21-14-9-11(8-13(15(14)18)17(19)20)10-16-12-6-4-3-5-7-12/h3-10,18H,2H2,1H3/b16-10+.
What are the key properties of 2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol?
2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol has a molecular weight of 286.29 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol is sourced from PubChem (CID 137059464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).