2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione

C16H13NO3 — CID 577650

IUPAC2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1ccc(O)cc1
InChIInChI=1S/C16H13NO3/c18-12-7-5-11(6-8-12)9-10-17-15(19)13-3-1-2-4-14(13)16(17)20/h1-8,18H,9-10H2
InChIKeyVGTDJOXZSROPLT-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.23
Rot. Bonds3

About 2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione

2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione (PubChem CID 577650) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
PubChem CID577650
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1ccc(O)cc1
InChIInChI=1S/C16H13NO3/c18-12-7-5-11(6-8-12)9-10-17-15(19)13-3-1-2-4-14(13)16(17)20/h1-8,18H,9-10H2
InChIKeyVGTDJOXZSROPLT-UHFFFAOYSA-N
XLogP2.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(4-hydroxyphenyl)ethyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione (CID 577650) is 2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1ccc(O)cc1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione?
The InChIKey is VGTDJOXZSROPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-12-7-5-11(6-8-12)9-10-17-15(19)13-3-1-2-4-14(13)16(17)20/h1-8,18H,9-10H2.
What are the key properties of 2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione?
2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione has a molecular weight of 267.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 577650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).