2-(4-hydroxycyclohexyl)-4,7-dimethylisoindole-1,3-dione

C16H19NO3 — CID 103430870

IUPAC2-(4-hydroxycyclohexyl)-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(C1CCC(O)CC1)C2=O
InChIInChI=1S/C16H19NO3/c1-9-3-4-10(2)14-13(9)15(19)17(16(14)20)11-5-7-12(18)8-6-11/h3-4,11-12,18H,5-8H2,1-2H3
InChIKeyRGXUQIDAJYOUFU-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.20
Rot. Bonds1

About 2-(4-hydroxycyclohexyl)-4,7-dimethylisoindole-1,3-dione

2-(4-hydroxycyclohexyl)-4,7-dimethylisoindole-1,3-dione (PubChem CID 103430870) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-4,7-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-4,7-dimethylisoindole-1,3-dione
PubChem CID103430870
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(4-hydroxycyclohexyl)-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(C1CCC(O)CC1)C2=O
InChIInChI=1S/C16H19NO3/c1-9-3-4-10(2)14-13(9)15(19)17(16(14)20)11-5-7-12(18)8-6-11/h3-4,11-12,18H,5-8H2,1-2H3
InChIKeyRGXUQIDAJYOUFU-UHFFFAOYSA-N
XLogP2.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-hydroxycyclohexyl)-4,7-dimethylisoindole-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-4,7-dimethylisoindole-1,3-dione?
The IUPAC name of 2-(4-hydroxycyclohexyl)-4,7-dimethylisoindole-1,3-dione (CID 103430870) is 2-(4-hydroxycyclohexyl)-4,7-dimethylisoindole-1,3-dione.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-4,7-dimethylisoindole-1,3-dione?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-4,7-dimethylisoindole-1,3-dione is Cc1ccc(C)c2c1C(=O)N(C1CCC(O)CC1)C2=O.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-4,7-dimethylisoindole-1,3-dione?
The InChIKey is RGXUQIDAJYOUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-9-3-4-10(2)14-13(9)15(19)17(16(14)20)11-5-7-12(18)8-6-11/h3-4,11-12,18H,5-8H2,1-2H3.
What are the key properties of 2-(4-hydroxycyclohexyl)-4,7-dimethylisoindole-1,3-dione?
2-(4-hydroxycyclohexyl)-4,7-dimethylisoindole-1,3-dione has a molecular weight of 273.33 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-4,7-dimethylisoindole-1,3-dione is sourced from PubChem (CID 103430870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).