2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid

C15H9NO5 — CID 746439

IUPAC2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O
InChIInChI=1S/C15H9NO5/c17-12-4-2-1-3-11(12)16-13(18)9-6-5-8(15(20)21)7-10(9)14(16)19/h1-7,17H,(H,20,21)
InChIKeyLOCUVUONCCLSGK-UHFFFAOYSA-N
MW283.24 g/mol
LogP1.89
Rot. Bonds2

About 2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid

2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid (PubChem CID 746439) has the molecular formula C15H9NO5 and a molecular weight of 283.24 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
PubChem CID746439
Molecular FormulaC15H9NO5
Molecular Weight283.24 g/mol
Exact Mass283.05
IUPAC Name2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O
InChIInChI=1S/C15H9NO5/c17-12-4-2-1-3-11(12)16-13(18)9-6-5-8(15(20)21)7-10(9)14(16)19/h1-7,17H,(H,20,21)
InChIKeyLOCUVUONCCLSGK-UHFFFAOYSA-N
XLogP1.89
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 777395
2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 761478
2-(2-hydroxy-4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 30106047
4-chloro-2-[[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 46868655
2-[4-[4-(5-carboxy-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-2-methylphenyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 102007666
2-(2-hydroxyphenyl)-5-(2-phenylethynyl)isoindole-1,3-dione
CID 139971344
3-(1,3-dioxoisoindol-2-yl)-4-fluorobenzoic acid
CID 60828530
2-(2,6-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 139199918
2-(4-anilinophenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 5214128
2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 759366
2-(4-bromo-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 1363480
2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 23792936

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid?
The IUPAC name of 2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid (CID 746439) is 2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid?
The canonical SMILES for 2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O.
What is the InChIKey of 2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid?
The InChIKey is LOCUVUONCCLSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO5/c17-12-4-2-1-3-11(12)16-13(18)9-6-5-8(15(20)21)7-10(9)14(16)19/h1-7,17H,(H,20,21).
What are the key properties of 2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid?
2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid has a molecular weight of 283.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid is sourced from PubChem (CID 746439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).