4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol

C14H12N2O4 — CID 693735

IUPAC4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
SMILESCOc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(O)cc1
InChIInChI=1S/C14H12N2O4/c1-20-14-7-4-11(16(18)19)8-13(14)15-9-10-2-5-12(17)6-3-10/h2-9,17H,1H3/b15-9+
InChIKeyHGGZNLSNTSEYEO-OQLLNIDSSA-N
MW272.26 g/mol
LogP3.06
Rot. Bonds4

About 4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol

4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol (PubChem CID 693735) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
PubChem CID693735
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
SMILESCOc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(O)cc1
InChIInChI=1S/C14H12N2O4/c1-20-14-7-4-11(16(18)19)8-13(14)15-9-10-2-5-12(17)6-3-10/h2-9,17H,1H3/b15-9+
InChIKeyHGGZNLSNTSEYEO-OQLLNIDSSA-N
XLogP3.06
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 53.06
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-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
N-[5-(1-adamantyl)-2-methoxyphenyl]-1-(4-nitrophenyl)methanimine
CID 15999229
2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
CID 690997
N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine
CID 964364
N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine
CID 3058440
1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine
CID 3520188
2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol
CID 135963051
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine
CID 56694143
3,4-dibromo-6-ethoxy-2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 4110397
N-(2,5-dimethoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-imine
CID 4102744
3-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxy-N,N-dimethylbenzenesulfonamide
CID 135595872

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol?
The IUPAC name of 4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol (CID 693735) is 4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol.
What is the SMILES notation for 4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol?
The canonical SMILES for 4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol is COc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol?
The InChIKey is HGGZNLSNTSEYEO-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-20-14-7-4-11(16(18)19)8-13(14)15-9-10-2-5-12(17)6-3-10/h2-9,17H,1H3/b15-9+.
What are the key properties of 4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol?
4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol has a molecular weight of 272.26 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol is sourced from PubChem (CID 693735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).