2-(2-hydroxy-5-phenylphenyl)-4-methylisoindole-1,3-dione

C21H15NO3 — CID 25134257

IUPAC2-(2-hydroxy-5-phenylphenyl)-4-methylisoindole-1,3-dione
SMILESCc1cccc2c1C(=O)N(c1cc(-c3ccccc3)ccc1O)C2=O
InChIInChI=1S/C21H15NO3/c1-13-6-5-9-16-19(13)21(25)22(20(16)24)17-12-15(10-11-18(17)23)14-7-3-2-4-8-14/h2-12,23H,1H3
InChIKeyROMNEYAQUBNRLR-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.17
Rot. Bonds2

About 2-(2-hydroxy-5-phenylphenyl)-4-methylisoindole-1,3-dione

2-(2-hydroxy-5-phenylphenyl)-4-methylisoindole-1,3-dione (PubChem CID 25134257) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(2-hydroxy-5-phenylphenyl)-4-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxy-5-phenylphenyl)-4-methylisoindole-1,3-dione
PubChem CID25134257
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name2-(2-hydroxy-5-phenylphenyl)-4-methylisoindole-1,3-dione
SMILESCc1cccc2c1C(=O)N(c1cc(-c3ccccc3)ccc1O)C2=O
InChIInChI=1S/C21H15NO3/c1-13-6-5-9-16-19(13)21(25)22(20(16)24)17-12-15(10-11-18(17)23)14-7-3-2-4-8-14/h2-12,23H,1H3
InChIKeyROMNEYAQUBNRLR-UHFFFAOYSA-N
XLogP4.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-phenylphenyl)-4-methylisoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxy-5-phenylphenyl)-4-methylisoindole-1,3-dione (CID 25134257) is 2-(2-hydroxy-5-phenylphenyl)-4-methylisoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxy-5-phenylphenyl)-4-methylisoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxy-5-phenylphenyl)-4-methylisoindole-1,3-dione is Cc1cccc2c1C(=O)N(c1cc(-c3ccccc3)ccc1O)C2=O.
What is the InChIKey of 2-(2-hydroxy-5-phenylphenyl)-4-methylisoindole-1,3-dione?
The InChIKey is ROMNEYAQUBNRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c1-13-6-5-9-16-19(13)21(25)22(20(16)24)17-12-15(10-11-18(17)23)14-7-3-2-4-8-14/h2-12,23H,1H3.
What are the key properties of 2-(2-hydroxy-5-phenylphenyl)-4-methylisoindole-1,3-dione?
2-(2-hydroxy-5-phenylphenyl)-4-methylisoindole-1,3-dione has a molecular weight of 329.36 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-phenylphenyl)-4-methylisoindole-1,3-dione is sourced from PubChem (CID 25134257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).