methyl 4-(4-methanimidoylphenyl)benzoate

C15H13NO2 — CID 142312095

IUPACmethyl 4-(4-methanimidoylphenyl)benzoate
SMILES[H]/N=C/c1ccc(-c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C15H13NO2/c1-18-15(17)14-8-6-13(7-9-14)12-4-2-11(10-16)3-5-12/h2-10,16H,1H3/b16-10+
InChIKeyMGFNXRIDJLZTED-MHWRWJLKSA-N
MW239.27 g/mol
LogP3.14
Rot. Bonds3

About methyl 4-(4-methanimidoylphenyl)benzoate

methyl 4-(4-methanimidoylphenyl)benzoate (PubChem CID 142312095) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 4-(4-methanimidoylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-methanimidoylphenyl)benzoate
PubChem CID142312095
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Namemethyl 4-(4-methanimidoylphenyl)benzoate
SMILES[H]/N=C/c1ccc(-c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C15H13NO2/c1-18-15(17)14-8-6-13(7-9-14)12-4-2-11(10-16)3-5-12/h2-10,16H,1H3/b16-10+
InChIKeyMGFNXRIDJLZTED-MHWRWJLKSA-N
XLogP3.14
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
dimethyl 5-(4-methoxycarbonylphenyl)benzene-1,3-dicarboxylate
CID 118103022
ethane;methyl 4-formylbenzoate
CID 91069506
1-(4-methanimidoylphenyl)-2-methylpropan-1-one
CID 155200840
methyl 3-hydroxy-4-[[4-[4-[(2-hydroxy-4-methoxycarbonylphenyl)iminomethyl]phenyl]phenyl]methylideneamino]benzoate
CID 135430209
methyl 4-methylbenzoate
CID 7455
methyl 4-methylbenzoate
CID 91113291
methyl 4-(4-sulfamoylphenyl)benzoate
CID 122194771
4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid
CID 59310556
methyl 4-[4-[4-(4-acetylphenyl)benzoyl]oxycarbonylphenyl]benzoate
CID 171057424
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methanimidoylphenyl)benzoate?
The IUPAC name of methyl 4-(4-methanimidoylphenyl)benzoate (CID 142312095) is methyl 4-(4-methanimidoylphenyl)benzoate.
What is the SMILES notation for methyl 4-(4-methanimidoylphenyl)benzoate?
The canonical SMILES for methyl 4-(4-methanimidoylphenyl)benzoate is [H]/N=C/c1ccc(-c2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-(4-methanimidoylphenyl)benzoate?
The InChIKey is MGFNXRIDJLZTED-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H13NO2/c1-18-15(17)14-8-6-13(7-9-14)12-4-2-11(10-16)3-5-12/h2-10,16H,1H3/b16-10+.
What are the key properties of methyl 4-(4-methanimidoylphenyl)benzoate?
methyl 4-(4-methanimidoylphenyl)benzoate has a molecular weight of 239.27 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methanimidoylphenyl)benzoate is sourced from PubChem (CID 142312095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).