methyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate

C15H13NO4 — CID 623233

IUPACmethyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate
SMILESCOC(=O)c1ccc(/N=C/c2ccc(O)cc2O)cc1
InChIInChI=1S/C15H13NO4/c1-20-15(19)10-2-5-12(6-3-10)16-9-11-4-7-13(17)8-14(11)18/h2-9,17-18H,1H3/b16-9+
InChIKeyNYHLFRDYZLACTM-CXUHLZMHSA-N
MW271.27 g/mol
LogP2.63
Rot. Bonds3

About methyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate

methyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate (PubChem CID 623233) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is methyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate
PubChem CID623233
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Namemethyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate
SMILESCOC(=O)c1ccc(/N=C/c2ccc(O)cc2O)cc1
InChIInChI=1S/C15H13NO4/c1-20-15(19)10-2-5-12(6-3-10)16-9-11-4-7-13(17)8-14(11)18/h2-9,17-18H,1H3/b16-9+
InChIKeyNYHLFRDYZLACTM-CXUHLZMHSA-N
XLogP2.63
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-hydroxy-4-[[2-[(2-hydroxy-4-methoxycarbonylphenyl)methylideneamino]phenyl]iminomethyl]benzoate
CID 136744502
dimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595463
[3-hydroxy-4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-pentoxybenzoate
CID 136746703
4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol
CID 788003
ethyl 4-[[2-hydroxy-4-[(4-methoxyphenyl)diazenyl]phenyl]methylideneamino]benzoate
CID 3578140
methyl 4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]benzoate
CID 4230242
[3-hydroxy-4-[(4-methoxyphenyl)iminomethyl]phenyl] 4-pentoxybenzoate
CID 136834355
5-[4-[(4-dodecoxy-2-hydroxyphenyl)methylideneamino]benzoyl]oxypentyl 4-[(4-dodecoxy-2-hydroxyphenyl)methylideneamino]benzoate
CID 136912163
methyl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzoate
CID 126245259
3-[4-[(4-hexadecoxy-2-hydroxyphenyl)methylideneamino]benzoyl]oxypropyl 4-[(4-hexadecoxy-2-hydroxyphenyl)methylideneamino]benzoate
CID 136912154
3-[4-[(4-dodecoxy-2-hydroxyphenyl)methylideneamino]benzoyl]oxypropyl 4-[(4-dodecoxy-2-hydroxyphenyl)methylideneamino]benzoate
CID 136912153
methyl 4-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzoate
CID 137171985

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate?
The IUPAC name of methyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate (CID 623233) is methyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate.
What is the SMILES notation for methyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate?
The canonical SMILES for methyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate is COC(=O)c1ccc(/N=C/c2ccc(O)cc2O)cc1.
What is the InChIKey of methyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate?
The InChIKey is NYHLFRDYZLACTM-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H13NO4/c1-20-15(19)10-2-5-12(6-3-10)16-9-11-4-7-13(17)8-14(11)18/h2-9,17-18H,1H3/b16-9+.
What are the key properties of methyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate?
methyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate has a molecular weight of 271.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate is sourced from PubChem (CID 623233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).