5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione

C16H13NO4 — CID 19793988

IUPAC5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione
SMILESCc1cc(O)cc(C)c1N1C(=O)c2ccc(O)cc2C1=O
InChIInChI=1S/C16H13NO4/c1-8-5-11(19)6-9(2)14(8)17-15(20)12-4-3-10(18)7-13(12)16(17)21/h3-7,18-19H,1-2H3
InChIKeyTXNFJOYVYRFHIQ-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.52
Rot. Bonds1

About 5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione

5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione (PubChem CID 19793988) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione
PubChem CID19793988
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione
SMILESCc1cc(O)cc(C)c1N1C(=O)c2ccc(O)cc2C1=O
InChIInChI=1S/C16H13NO4/c1-8-5-11(19)6-9(2)14(8)17-15(20)12-4-3-10(18)7-13(12)16(17)21/h3-7,18-19H,1-2H3
InChIKeyTXNFJOYVYRFHIQ-UHFFFAOYSA-N
XLogP2.52
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.52
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 5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione?
The IUPAC name of 5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione (CID 19793988) is 5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione is Cc1cc(O)cc(C)c1N1C(=O)c2ccc(O)cc2C1=O.
What is the InChIKey of 5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione?
The InChIKey is TXNFJOYVYRFHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-8-5-11(19)6-9(2)14(8)17-15(20)12-4-3-10(18)7-13(12)16(17)21/h3-7,18-19H,1-2H3.
What are the key properties of 5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione?
5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione has a molecular weight of 283.28 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 19793988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).