2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one

C16H15NO2 — CID 141210941

IUPAC2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESCc1cccc(N2C(=O)c3ccccc3C2O)c1C
InChIInChI=1S/C16H15NO2/c1-10-6-5-9-14(11(10)2)17-15(18)12-7-3-4-8-13(12)16(17)19/h3-9,15,18H,1-2H3
InChIKeyUCZMNPQQHVVAOF-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.95
Rot. Bonds1

About 2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one

2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one (PubChem CID 141210941) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one
PubChem CID141210941
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one
SMILESCc1cccc(N2C(=O)c3ccccc3C2O)c1C
InChIInChI=1S/C16H15NO2/c1-10-6-5-9-14(11(10)2)17-15(18)12-7-3-4-8-13(12)16(17)19/h3-9,15,18H,1-2H3
InChIKeyUCZMNPQQHVVAOF-UHFFFAOYSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one (CID 141210941) is 2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one is Cc1cccc(N2C(=O)c3ccccc3C2O)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one?
The InChIKey is UCZMNPQQHVVAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-10-6-5-9-14(11(10)2)17-15(18)12-7-3-4-8-13(12)16(17)19/h3-9,15,18H,1-2H3.
What are the key properties of 2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one?
2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one has a molecular weight of 253.30 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 141210941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).