[2-(1,3-dioxoisoindol-2-yl)phenyl] 2-hydroxybenzoate

C21H13NO5 — CID 135033282

IUPAC[2-(1,3-dioxoisoindol-2-yl)phenyl] 2-hydroxybenzoate
SMILESO=C(Oc1ccccc1N1C(=O)c2ccccc2C1=O)c1ccccc1O
InChIInChI=1S/C21H13NO5/c23-17-11-5-3-9-15(17)21(26)27-18-12-6-4-10-16(18)22-19(24)13-7-1-2-8-14(13)20(22)25/h1-12,23H
InChIKeyCZILEVVHUQJCFE-UHFFFAOYSA-N
MW359.34 g/mol
LogP3.41
Rot. Bonds3

About [2-(1,3-dioxoisoindol-2-yl)phenyl] 2-hydroxybenzoate

[2-(1,3-dioxoisoindol-2-yl)phenyl] 2-hydroxybenzoate (PubChem CID 135033282) has the molecular formula C21H13NO5 and a molecular weight of 359.34 g/mol. Its IUPAC name is [2-(1,3-dioxoisoindol-2-yl)phenyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(1,3-dioxoisoindol-2-yl)phenyl] 2-hydroxybenzoate
PubChem CID135033282
Molecular FormulaC21H13NO5
Molecular Weight359.34 g/mol
Exact Mass359.08
IUPAC Name[2-(1,3-dioxoisoindol-2-yl)phenyl] 2-hydroxybenzoate
SMILESO=C(Oc1ccccc1N1C(=O)c2ccccc2C1=O)c1ccccc1O
InChIInChI=1S/C21H13NO5/c23-17-11-5-3-9-15(17)21(26)27-18-12-6-4-10-16(18)22-19(24)13-7-1-2-8-14(13)20(22)25/h1-12,23H
InChIKeyCZILEVVHUQJCFE-UHFFFAOYSA-N
XLogP3.41
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(1,3-dioxoisoindol-2-yl)phenyl] 2-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dioxoisoindol-2-yl)phenyl] 2-hydroxybenzoate?
The IUPAC name of [2-(1,3-dioxoisoindol-2-yl)phenyl] 2-hydroxybenzoate (CID 135033282) is [2-(1,3-dioxoisoindol-2-yl)phenyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-(1,3-dioxoisoindol-2-yl)phenyl] 2-hydroxybenzoate?
The canonical SMILES for [2-(1,3-dioxoisoindol-2-yl)phenyl] 2-hydroxybenzoate is O=C(Oc1ccccc1N1C(=O)c2ccccc2C1=O)c1ccccc1O.
What is the InChIKey of [2-(1,3-dioxoisoindol-2-yl)phenyl] 2-hydroxybenzoate?
The InChIKey is CZILEVVHUQJCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO5/c23-17-11-5-3-9-15(17)21(26)27-18-12-6-4-10-16(18)22-19(24)13-7-1-2-8-14(13)20(22)25/h1-12,23H.
What are the key properties of [2-(1,3-dioxoisoindol-2-yl)phenyl] 2-hydroxybenzoate?
[2-(1,3-dioxoisoindol-2-yl)phenyl] 2-hydroxybenzoate has a molecular weight of 359.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dioxoisoindol-2-yl)phenyl] 2-hydroxybenzoate is sourced from PubChem (CID 135033282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).