[4-(methylideneamino)phenyl] 4-methylbenzoate

C15H13NO2 — CID 59871820

IUPAC[4-(methylideneamino)phenyl] 4-methylbenzoate
SMILESC=Nc1ccc(OC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H13NO2/c1-11-3-5-12(6-4-11)15(17)18-14-9-7-13(16-2)8-10-14/h3-10H,2H2,1H3
InChIKeyIXPXTFZUXHKVEH-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.55
Rot. Bonds3

About [4-(methylideneamino)phenyl] 4-methylbenzoate

[4-(methylideneamino)phenyl] 4-methylbenzoate (PubChem CID 59871820) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is [4-(methylideneamino)phenyl] 4-methylbenzoate.

Molecular Properties

Compound Name[4-(methylideneamino)phenyl] 4-methylbenzoate
PubChem CID59871820
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name[4-(methylideneamino)phenyl] 4-methylbenzoate
SMILESC=Nc1ccc(OC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H13NO2/c1-11-3-5-12(6-4-11)15(17)18-14-9-7-13(16-2)8-10-14/h3-10H,2H2,1H3
InChIKeyIXPXTFZUXHKVEH-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(methylideneamino)phenyl] 4-methylbenzoate?
The IUPAC name of [4-(methylideneamino)phenyl] 4-methylbenzoate (CID 59871820) is [4-(methylideneamino)phenyl] 4-methylbenzoate.
What is the SMILES notation for [4-(methylideneamino)phenyl] 4-methylbenzoate?
The canonical SMILES for [4-(methylideneamino)phenyl] 4-methylbenzoate is C=Nc1ccc(OC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [4-(methylideneamino)phenyl] 4-methylbenzoate?
The InChIKey is IXPXTFZUXHKVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-11-3-5-12(6-4-11)15(17)18-14-9-7-13(16-2)8-10-14/h3-10H,2H2,1H3.
What are the key properties of [4-(methylideneamino)phenyl] 4-methylbenzoate?
[4-(methylideneamino)phenyl] 4-methylbenzoate has a molecular weight of 239.27 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylideneamino)phenyl] 4-methylbenzoate is sourced from PubChem (CID 59871820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).