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

C14H12N2O4 — CID 5072766

IUPAC2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
SMILESCOc1ccc([N+](=O)[O-])cc1/N=C/c1ccccc1O
InChIInChI=1S/C14H12N2O4/c1-20-14-7-6-11(16(18)19)8-12(14)15-9-10-4-2-3-5-13(10)17/h2-9,17H,1H3/b15-9+
InChIKeyMMVSAFYNASLWOQ-OQLLNIDSSA-N
MW272.26 g/mol
LogP3.06
Rot. Bonds4

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

2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol (PubChem CID 5072766) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
PubChem CID5072766
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
SMILESCOc1ccc([N+](=O)[O-])cc1/N=C/c1ccccc1O
InChIInChI=1S/C14H12N2O4/c1-20-14-7-6-11(16(18)19)8-12(14)15-9-10-4-2-3-5-13(10)17/h2-9,17H,1H3/b15-9+
InChIKeyMMVSAFYNASLWOQ-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-amino-5-nitrophenyl)iminomethyl]phenol
CID 136877308
4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 693735
2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol
CID 3614500
3-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxy-N,N-dimethylbenzenesulfonamide
CID 135595872
1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine
CID 3520188
2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595
2-[[2-(2-methoxy-5-nitroanilino)-1-benzofuran-3-yl]iminomethyl]phenol
CID 136795435
2,4-ditert-butyl-6-[[2-[(2-hydroxyphenyl)methylideneamino]-4-nitrophenyl]iminomethyl]phenol
CID 139203413
2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol
CID 135963051
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
2-[(2,4-dinitrophenyl)methylideneamino]phenol
CID 102417808
2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol
CID 4305611

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol?
The IUPAC name of 2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol (CID 5072766) is 2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol.
What is the SMILES notation for 2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol?
The canonical SMILES for 2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol is COc1ccc([N+](=O)[O-])cc1/N=C/c1ccccc1O.
What is the InChIKey of 2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol?
The InChIKey is MMVSAFYNASLWOQ-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-20-14-7-6-11(16(18)19)8-12(14)15-9-10-4-2-3-5-13(10)17/h2-9,17H,1H3/b15-9+.
What are the key properties of 2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol?
2-[(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 2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol is sourced from PubChem (CID 5072766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).