methyl 4-(phenyliminomethyl)benzoate

C15H13NO2 — CID 11253424

IUPACmethyl 4-(phenyliminomethyl)benzoate
SMILESCOC(=O)c1ccc(/C=N/c2ccccc2)cc1
InChIInChI=1S/C15H13NO2/c1-18-15(17)13-9-7-12(8-10-13)11-16-14-5-3-2-4-6-14/h2-11H,1H3/b16-11+
InChIKeyLUQFLQBIMGTTCL-LFIBNONCSA-N
MW239.27 g/mol
LogP3.22
Rot. Bonds3

About methyl 4-(phenyliminomethyl)benzoate

methyl 4-(phenyliminomethyl)benzoate (PubChem CID 11253424) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 4-(phenyliminomethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(phenyliminomethyl)benzoate
PubChem CID11253424
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Namemethyl 4-(phenyliminomethyl)benzoate
SMILESCOC(=O)c1ccc(/C=N/c2ccccc2)cc1
InChIInChI=1S/C15H13NO2/c1-18-15(17)13-9-7-12(8-10-13)11-16-14-5-3-2-4-6-14/h2-11H,1H3/b16-11+
InChIKeyLUQFLQBIMGTTCL-LFIBNONCSA-N
XLogP3.22
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(phenyliminomethyl)benzoate?
The IUPAC name of methyl 4-(phenyliminomethyl)benzoate (CID 11253424) is methyl 4-(phenyliminomethyl)benzoate.
What is the SMILES notation for methyl 4-(phenyliminomethyl)benzoate?
The canonical SMILES for methyl 4-(phenyliminomethyl)benzoate is COC(=O)c1ccc(/C=N/c2ccccc2)cc1.
What is the InChIKey of methyl 4-(phenyliminomethyl)benzoate?
The InChIKey is LUQFLQBIMGTTCL-LFIBNONCSA-N. The full InChI is InChI=1S/C15H13NO2/c1-18-15(17)13-9-7-12(8-10-13)11-16-14-5-3-2-4-6-14/h2-11H,1H3/b16-11+.
What are the key properties of methyl 4-(phenyliminomethyl)benzoate?
methyl 4-(phenyliminomethyl)benzoate has a molecular weight of 239.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(phenyliminomethyl)benzoate is sourced from PubChem (CID 11253424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).