4-[(E)-[(E)-(4-carboxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-3-hydroxybenzoic acid

C16H12N2O6 — CID 149356040

IUPAC4-[(E)-[(E)-(4-carboxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(/C=N/N=C/c2ccc(C(=O)O)cc2O)c(O)c1
InChIInChI=1S/C16H12N2O6/c19-13-5-9(15(21)22)1-3-11(13)7-17-18-8-12-4-2-10(16(23)24)6-14(12)20/h1-8,19-20H,(H,21,22)(H,23,24)/b17-7+,18-8+
InChIKeyYGYSOESAYDXIIG-ZEELXFFVSA-N
MW328.28 g/mol
LogP1.95
Rot. Bonds5

About 4-[(E)-[(E)-(4-carboxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-3-hydroxybenzoic acid

4-[(E)-[(E)-(4-carboxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-3-hydroxybenzoic acid (PubChem CID 149356040) has the molecular formula C16H12N2O6 and a molecular weight of 328.28 g/mol. Its IUPAC name is 4-[(E)-[(E)-(4-carboxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(E)-[(E)-(4-carboxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-3-hydroxybenzoic acid
PubChem CID149356040
Molecular FormulaC16H12N2O6
Molecular Weight328.28 g/mol
Exact Mass328.07
IUPAC Name4-[(E)-[(E)-(4-carboxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(/C=N/N=C/c2ccc(C(=O)O)cc2O)c(O)c1
InChIInChI=1S/C16H12N2O6/c19-13-5-9(15(21)22)1-3-11(13)7-17-18-8-12-4-2-10(16(23)24)6-14(12)20/h1-8,19-20H,(H,21,22)(H,23,24)/b17-7+,18-8+
InChIKeyYGYSOESAYDXIIG-ZEELXFFVSA-N
XLogP1.95
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzene;3,4-dihydroxybenzoic acid
CID 175073097
bis(3,4-dihydroxybenzoic acid);zirconium
CID 23558402
4-(hydroxyiminomethyl)benzene-1,3-dicarboxylic acid
CID 143094529
3-hydroxy-4-[[(2-phenylphenyl)carbamothioylhydrazinylidene]methyl]benzoic acid
CID 136619877
4-[2-(2,4-dicarboxyphenyl)ethenyl]benzene-1,3-dicarboxylic acid
CID 141181018
calcium bis(4-carboxy-2-hydroxyphenolate)
CID 68865132
4-chloro-3-hydroxybenzoic acid;tribromoborane
CID 157084647
4-(2-cyano-3-methoxy-3-oxoprop-1-enyl)-3-hydroxybenzoic acid
CID 139578181
3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid
CID 169462044
tris(benzene-1,3-dicarboxylic acid);terephthalic acid
CID 173416793
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
4-formamido-3-hydroxybenzoic acid
CID 56997255

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(E)-(4-carboxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-3-hydroxybenzoic acid?
The IUPAC name of 4-[(E)-[(E)-(4-carboxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-3-hydroxybenzoic acid (CID 149356040) is 4-[(E)-[(E)-(4-carboxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[(E)-[(E)-(4-carboxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[(E)-[(E)-(4-carboxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-3-hydroxybenzoic acid is O=C(O)c1ccc(/C=N/N=C/c2ccc(C(=O)O)cc2O)c(O)c1.
What is the InChIKey of 4-[(E)-[(E)-(4-carboxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-3-hydroxybenzoic acid?
The InChIKey is YGYSOESAYDXIIG-ZEELXFFVSA-N. The full InChI is InChI=1S/C16H12N2O6/c19-13-5-9(15(21)22)1-3-11(13)7-17-18-8-12-4-2-10(16(23)24)6-14(12)20/h1-8,19-20H,(H,21,22)(H,23,24)/b17-7+,18-8+.
What are the key properties of 4-[(E)-[(E)-(4-carboxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-3-hydroxybenzoic acid?
4-[(E)-[(E)-(4-carboxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-3-hydroxybenzoic acid has a molecular weight of 328.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(E)-(4-carboxy-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-3-hydroxybenzoic acid is sourced from PubChem (CID 149356040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).