1-[3-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]ethanone

C15H12N2O4 — CID 540958

IUPAC1-[3-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]ethanone
SMILESCC(=O)c1cccc(/N=C/c2cccc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C15H12N2O4/c1-10(18)11-4-2-6-13(8-11)16-9-12-5-3-7-14(15(12)19)17(20)21/h2-9,19H,1H3/b16-9+
InChIKeyOHQXGOSWTOTTRB-CXUHLZMHSA-N
MW284.27 g/mol
LogP3.25
Rot. Bonds4

About 1-[3-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]ethanone

1-[3-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]ethanone (PubChem CID 540958) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 1-[3-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]ethanone
PubChem CID540958
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name1-[3-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]ethanone
SMILESCC(=O)c1cccc(/N=C/c2cccc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C15H12N2O4/c1-10(18)11-4-2-6-13(8-11)16-9-12-5-3-7-14(15(12)19)17(20)21/h2-9,19H,1H3/b16-9+
InChIKeyOHQXGOSWTOTTRB-CXUHLZMHSA-N
XLogP3.25
TPSA92.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.25
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

3-Nitro-benzoic acid (2-hydroxy-benzylidene)-hydrazide
CID 3094002
1-(2-Hydroxy-3-nitrophenyl)-ethanone
CID 270026
Alpha-(3-acetylphenylimino)-O-cresol
CID 272275
4,4'-Dihydroxy-3,3'-dinitrobenzophenone
CID 391007
Benzoic acid, m-nitro-, salicylidenehydrazide
CID 135408681
Ethanedione, bis(4-hydroxy-3-nitrophenyl)-
CID 24825630
4-[(2-Hydroxy-3-nitrophenyl)methylene]-3-(2-nitrophenyl)isoxazol-5-one
CID 135613601
4-Hydroxy-3-nitrobenzophenone
CID 231150
Phenol, 2-(4-fluorophenyliminomethyl)-6-nitro-
CID 554585
2-{(E)-[(2-hydroxyphenyl)imino]methyl}-4-nitrophenol
CID 3252917
3-[(2-Hydroxy-5-nitrophenyl)methylideneamino]benzoic acid
CID 137164900
2-[(3-Ethynylphenyl)iminomethyl]-6-nitrophenol
CID 142621582

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]ethanone?
The IUPAC name of 1-[3-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]ethanone (CID 540958) is 1-[3-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]ethanone is CC(=O)c1cccc(/N=C/c2cccc([N+](=O)[O-])c2O)c1.
What is the InChIKey of 1-[3-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]ethanone?
The InChIKey is OHQXGOSWTOTTRB-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-10(18)11-4-2-6-13(8-11)16-9-12-5-3-7-14(15(12)19)17(20)21/h2-9,19H,1H3/b16-9+.
What are the key properties of 1-[3-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]ethanone?
1-[3-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]ethanone has a molecular weight of 284.27 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]ethanone is sourced from PubChem (CID 540958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).