2-[(2-methylphenyl)iminomethyl]-4-nitrophenol

C14H12N2O3 — CID 765699

IUPAC2-[(2-methylphenyl)iminomethyl]-4-nitrophenol
SMILESCc1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H12N2O3/c1-10-4-2-3-5-13(10)15-9-11-8-12(16(18)19)6-7-14(11)17/h2-9,17H,1H3/b15-9+
InChIKeyMNWNYDLYBIKUPW-OQLLNIDSSA-N
MW256.26 g/mol
LogP3.36
Rot. Bonds3

About 2-[(2-methylphenyl)iminomethyl]-4-nitrophenol

2-[(2-methylphenyl)iminomethyl]-4-nitrophenol (PubChem CID 765699) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(2-methylphenyl)iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(2-methylphenyl)iminomethyl]-4-nitrophenol
PubChem CID765699
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-[(2-methylphenyl)iminomethyl]-4-nitrophenol
SMILESCc1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H12N2O3/c1-10-4-2-3-5-13(10)15-9-11-8-12(16(18)19)6-7-14(11)17/h2-9,17H,1H3/b15-9+
InChIKeyMNWNYDLYBIKUPW-OQLLNIDSSA-N
XLogP3.36
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)iminomethyl]-4-nitrophenol?
The IUPAC name of 2-[(2-methylphenyl)iminomethyl]-4-nitrophenol (CID 765699) is 2-[(2-methylphenyl)iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-[(2-methylphenyl)iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-[(2-methylphenyl)iminomethyl]-4-nitrophenol is Cc1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-[(2-methylphenyl)iminomethyl]-4-nitrophenol?
The InChIKey is MNWNYDLYBIKUPW-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-10-4-2-3-5-13(10)15-9-11-8-12(16(18)19)6-7-14(11)17/h2-9,17H,1H3/b15-9+.
What are the key properties of 2-[(2-methylphenyl)iminomethyl]-4-nitrophenol?
2-[(2-methylphenyl)iminomethyl]-4-nitrophenol has a molecular weight of 256.26 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)iminomethyl]-4-nitrophenol is sourced from PubChem (CID 765699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).