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

C16H13NO4 — CID 14536961

IUPAC2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(O)c1ccc(O)cc1
InChIInChI=1S/C16H13NO4/c18-11-7-5-10(6-8-11)14(19)9-17-15(20)12-3-1-2-4-13(12)16(17)21/h1-8,14,18-19H,9H2
InChIKeyYBZFPXXZMZITFE-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.72
Rot. Bonds3

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

2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione (PubChem CID 14536961) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
PubChem CID14536961
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(O)c1ccc(O)cc1
InChIInChI=1S/C16H13NO4/c18-11-7-5-10(6-8-11)14(19)9-17-15(20)12-3-1-2-4-13(12)16(17)21/h1-8,14,18-19H,9H2
InChIKeyYBZFPXXZMZITFE-UHFFFAOYSA-N
XLogP1.72
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione (CID 14536961) is 2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC(O)c1ccc(O)cc1.
What is the InChIKey of 2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione?
The InChIKey is YBZFPXXZMZITFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c18-11-7-5-10(6-8-11)14(19)9-17-15(20)12-3-1-2-4-13(12)16(17)21/h1-8,14,18-19H,9H2.
What are the key properties of 2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione?
2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione has a molecular weight of 283.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 14536961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).