5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione

C21H13NO4 — CID 761887

IUPAC5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione
SMILESO=C(c1ccccc1)c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O
InChIInChI=1S/C21H13NO4/c23-16-8-4-7-15(12-16)22-20(25)17-10-9-14(11-18(17)21(22)26)19(24)13-5-2-1-3-6-13/h1-12,23H
InChIKeyWHAIFVKUTLUQRF-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.42
Rot. Bonds3

About 5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione

5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione (PubChem CID 761887) has the molecular formula C21H13NO4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione
PubChem CID761887
Molecular FormulaC21H13NO4
Molecular Weight343.34 g/mol
Exact Mass343.08
IUPAC Name5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione
SMILESO=C(c1ccccc1)c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O
InChIInChI=1S/C21H13NO4/c23-16-8-4-7-15(12-16)22-20(25)17-10-9-14(11-18(17)21(22)26)19(24)13-5-2-1-3-6-13/h1-12,23H
InChIKeyWHAIFVKUTLUQRF-UHFFFAOYSA-N
XLogP3.42
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

6,13-bis(3-benzoylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 3095737
3-[[2-(3-benzoylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 3285684
4-(1,3-dioxo-2-phenylisoindole-5-carbonyl)phthalic acid
CID 57076792
4-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid
CID 4124462
4-[3-(5-benzoyl-1,3-dioxoisoindol-2-yl)phenoxy]benzonitrile
CID 126184333
5-[5-[2-(3,5-dicarboxyphenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]benzene-1,3-dicarboxylic acid
CID 2832508
5-(1,3-dioxo-2-phenylisoindole-5-carbonyl)-2-methylisoindole-1,3-dione;5-(1,3-dioxo-2-phenylisoindole-5-carbonyl)-2-phenylisoindole-1,3-dione;ethane;methylsulfonylmethane
CID 158942524
5-(4-fluorobenzoyl)-2-[4-[5-(4-fluorobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 102076477
3-(5-bromo-1,3-dioxoisoindol-2-yl)benzoic acid
CID 690729
2-(3-hydroxyphenyl)-5-[3-[2-(3-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]isoindole-1,3-dione
CID 17386922
6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 714778
2-(2-benzoyl-4-chlorophenyl)-5-[2-(2-benzoyl-4-chlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 3110126

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione?
The IUPAC name of 5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione (CID 761887) is 5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione is O=C(c1ccccc1)c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O.
What is the InChIKey of 5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione?
The InChIKey is WHAIFVKUTLUQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO4/c23-16-8-4-7-15(12-16)22-20(25)17-10-9-14(11-18(17)21(22)26)19(24)13-5-2-1-3-6-13/h1-12,23H.
What are the key properties of 5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione?
5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione has a molecular weight of 343.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-2-(3-hydroxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 761887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).