2-hydroxy-4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]benzoic acid

C15H13NO5 — CID 135484966

IUPAC2-hydroxy-4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]benzoic acid
SMILESCOc1ccc(/C=N/c2ccc(C(=O)O)c(O)c2)c(O)c1
InChIInChI=1S/C15H13NO5/c1-21-11-4-2-9(13(17)7-11)8-16-10-3-5-12(15(19)20)14(18)6-10/h2-8,17-18H,1H3,(H,19,20)/b16-8+
InChIKeyTYJWADDTEWIJMD-LZYBPNLTSA-N
MW287.27 g/mol
LogP2.56
Rot. Bonds4

About 2-hydroxy-4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]benzoic acid

2-hydroxy-4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]benzoic acid (PubChem CID 135484966) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-hydroxy-4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]benzoic acid
PubChem CID135484966
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name2-hydroxy-4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]benzoic acid
SMILESCOc1ccc(/C=N/c2ccc(C(=O)O)c(O)c2)c(O)c1
InChIInChI=1S/C15H13NO5/c1-21-11-4-2-9(13(17)7-11)8-16-10-3-5-12(15(19)20)14(18)6-10/h2-8,17-18H,1H3,(H,19,20)/b16-8+
InChIKeyTYJWADDTEWIJMD-LZYBPNLTSA-N
XLogP2.56
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.56
H-Bond Donors ≤ 53
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 2-hydroxy-4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]benzoic acid (CID 135484966) is 2-hydroxy-4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]benzoic acid is COc1ccc(/C=N/c2ccc(C(=O)O)c(O)c2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]benzoic acid?
The InChIKey is TYJWADDTEWIJMD-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H13NO5/c1-21-11-4-2-9(13(17)7-11)8-16-10-3-5-12(15(19)20)14(18)6-10/h2-8,17-18H,1H3,(H,19,20)/b16-8+.
What are the key properties of 2-hydroxy-4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]benzoic acid?
2-hydroxy-4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]benzoic acid has a molecular weight of 287.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]benzoic acid is sourced from PubChem (CID 135484966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).