3-[(2-methyl-5-nitrophenyl)iminomethyl]phenol

C14H12N2O3 — CID 620584

IUPAC3-[(2-methyl-5-nitrophenyl)iminomethyl]phenol
SMILESCc1ccc([N+](=O)[O-])cc1/N=C/c1cccc(O)c1
InChIInChI=1S/C14H12N2O3/c1-10-5-6-12(16(18)19)8-14(10)15-9-11-3-2-4-13(17)7-11/h2-9,17H,1H3/b15-9+
InChIKeyFVVVKYKYRQBDGM-OQLLNIDSSA-N
MW256.26 g/mol
LogP3.36
Rot. Bonds3

About 3-[(2-methyl-5-nitrophenyl)iminomethyl]phenol

3-[(2-methyl-5-nitrophenyl)iminomethyl]phenol (PubChem CID 620584) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-[(2-methyl-5-nitrophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name3-[(2-methyl-5-nitrophenyl)iminomethyl]phenol
PubChem CID620584
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name3-[(2-methyl-5-nitrophenyl)iminomethyl]phenol
SMILESCc1ccc([N+](=O)[O-])cc1/N=C/c1cccc(O)c1
InChIInChI=1S/C14H12N2O3/c1-10-5-6-12(16(18)19)8-14(10)15-9-11-3-2-4-13(17)7-11/h2-9,17H,1H3/b15-9+
InChIKeyFVVVKYKYRQBDGM-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 3-[(2-methyl-5-nitrophenyl)iminomethyl]phenol?
The IUPAC name of 3-[(2-methyl-5-nitrophenyl)iminomethyl]phenol (CID 620584) is 3-[(2-methyl-5-nitrophenyl)iminomethyl]phenol.
What is the SMILES notation for 3-[(2-methyl-5-nitrophenyl)iminomethyl]phenol?
The canonical SMILES for 3-[(2-methyl-5-nitrophenyl)iminomethyl]phenol is Cc1ccc([N+](=O)[O-])cc1/N=C/c1cccc(O)c1.
What is the InChIKey of 3-[(2-methyl-5-nitrophenyl)iminomethyl]phenol?
The InChIKey is FVVVKYKYRQBDGM-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-10-5-6-12(16(18)19)8-14(10)15-9-11-3-2-4-13(17)7-11/h2-9,17H,1H3/b15-9+.
What are the key properties of 3-[(2-methyl-5-nitrophenyl)iminomethyl]phenol?
3-[(2-methyl-5-nitrophenyl)iminomethyl]phenol 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 3-[(2-methyl-5-nitrophenyl)iminomethyl]phenol is sourced from PubChem (CID 620584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).