methyl 2-hydroxy-5-[(3-hydroxyphenyl)methylideneamino]benzoate

C15H13NO4 — CID 10468409

IUPACmethyl 2-hydroxy-5-[(3-hydroxyphenyl)methylideneamino]benzoate
SMILESCOC(=O)c1cc(/N=C/c2cccc(O)c2)ccc1O
InChIInChI=1S/C15H13NO4/c1-20-15(19)13-8-11(5-6-14(13)18)16-9-10-3-2-4-12(17)7-10/h2-9,17-18H,1H3/b16-9+
InChIKeyHUNZSBFQMXIOEO-CXUHLZMHSA-N
MW271.27 g/mol
LogP2.63
Rot. Bonds3

About methyl 2-hydroxy-5-[(3-hydroxyphenyl)methylideneamino]benzoate

methyl 2-hydroxy-5-[(3-hydroxyphenyl)methylideneamino]benzoate (PubChem CID 10468409) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is methyl 2-hydroxy-5-[(3-hydroxyphenyl)methylideneamino]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-[(3-hydroxyphenyl)methylideneamino]benzoate
PubChem CID10468409
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Namemethyl 2-hydroxy-5-[(3-hydroxyphenyl)methylideneamino]benzoate
SMILESCOC(=O)c1cc(/N=C/c2cccc(O)c2)ccc1O
InChIInChI=1S/C15H13NO4/c1-20-15(19)13-8-11(5-6-14(13)18)16-9-10-3-2-4-12(17)7-10/h2-9,17-18H,1H3/b16-9+
InChIKeyHUNZSBFQMXIOEO-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-[(3-hydroxyphenyl)methylideneamino]benzoate?
The IUPAC name of methyl 2-hydroxy-5-[(3-hydroxyphenyl)methylideneamino]benzoate (CID 10468409) is methyl 2-hydroxy-5-[(3-hydroxyphenyl)methylideneamino]benzoate.
What is the SMILES notation for methyl 2-hydroxy-5-[(3-hydroxyphenyl)methylideneamino]benzoate?
The canonical SMILES for methyl 2-hydroxy-5-[(3-hydroxyphenyl)methylideneamino]benzoate is COC(=O)c1cc(/N=C/c2cccc(O)c2)ccc1O.
What is the InChIKey of methyl 2-hydroxy-5-[(3-hydroxyphenyl)methylideneamino]benzoate?
The InChIKey is HUNZSBFQMXIOEO-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H13NO4/c1-20-15(19)13-8-11(5-6-14(13)18)16-9-10-3-2-4-12(17)7-10/h2-9,17-18H,1H3/b16-9+.
What are the key properties of methyl 2-hydroxy-5-[(3-hydroxyphenyl)methylideneamino]benzoate?
methyl 2-hydroxy-5-[(3-hydroxyphenyl)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 2-hydroxy-5-[(3-hydroxyphenyl)methylideneamino]benzoate is sourced from PubChem (CID 10468409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).