methyl 4-[(4-hydroxyphenyl)methylideneamino]benzoate

C15H13NO3 — CID 969280

IUPACmethyl 4-[(4-hydroxyphenyl)methylideneamino]benzoate
SMILESCOC(=O)c1ccc(/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C15H13NO3/c1-19-15(18)12-4-6-13(7-5-12)16-10-11-2-8-14(17)9-3-11/h2-10,17H,1H3/b16-10+
InChIKeyRMGZSIQUVXIPDP-MHWRWJLKSA-N
MW255.27 g/mol
LogP2.93
Rot. Bonds3

About methyl 4-[(4-hydroxyphenyl)methylideneamino]benzoate

methyl 4-[(4-hydroxyphenyl)methylideneamino]benzoate (PubChem CID 969280) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 4-[(4-hydroxyphenyl)methylideneamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-hydroxyphenyl)methylideneamino]benzoate
PubChem CID969280
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namemethyl 4-[(4-hydroxyphenyl)methylideneamino]benzoate
SMILESCOC(=O)c1ccc(/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C15H13NO3/c1-19-15(18)12-4-6-13(7-5-12)16-10-11-2-8-14(17)9-3-11/h2-10,17H,1H3/b16-10+
InChIKeyRMGZSIQUVXIPDP-MHWRWJLKSA-N
XLogP2.93
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-hydroxyphenyl)methylideneamino]benzoate?
The IUPAC name of methyl 4-[(4-hydroxyphenyl)methylideneamino]benzoate (CID 969280) is methyl 4-[(4-hydroxyphenyl)methylideneamino]benzoate.
What is the SMILES notation for methyl 4-[(4-hydroxyphenyl)methylideneamino]benzoate?
The canonical SMILES for methyl 4-[(4-hydroxyphenyl)methylideneamino]benzoate is COC(=O)c1ccc(/N=C/c2ccc(O)cc2)cc1.
What is the InChIKey of methyl 4-[(4-hydroxyphenyl)methylideneamino]benzoate?
The InChIKey is RMGZSIQUVXIPDP-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H13NO3/c1-19-15(18)12-4-6-13(7-5-12)16-10-11-2-8-14(17)9-3-11/h2-10,17H,1H3/b16-10+.
What are the key properties of methyl 4-[(4-hydroxyphenyl)methylideneamino]benzoate?
methyl 4-[(4-hydroxyphenyl)methylideneamino]benzoate has a molecular weight of 255.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-hydroxyphenyl)methylideneamino]benzoate is sourced from PubChem (CID 969280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).