6-hydroxy-7-methoxy-2,4,4-trimethylchromeno[3,4-e]isoindole-1,3-dione

C19H17NO5 — CID 52946922

IUPAC6-hydroxy-7-methoxy-2,4,4-trimethylchromeno[3,4-e]isoindole-1,3-dione
SMILESCOc1ccc2c(c1O)OC(C)(C)c1c-2ccc2c1C(=O)N(C)C2=O
InChIInChI=1S/C19H17NO5/c1-19(2)14-9(5-6-11-13(14)18(23)20(3)17(11)22)10-7-8-12(24-4)15(21)16(10)25-19/h5-8,21H,1-4H3
InChIKeyDYHZIAPBGNZWBU-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.92
Rot. Bonds1

About 6-hydroxy-7-methoxy-2,4,4-trimethylchromeno[3,4-e]isoindole-1,3-dione

6-hydroxy-7-methoxy-2,4,4-trimethylchromeno[3,4-e]isoindole-1,3-dione (PubChem CID 52946922) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 6-hydroxy-7-methoxy-2,4,4-trimethylchromeno[3,4-e]isoindole-1,3-dione.

Molecular Properties

Compound Name6-hydroxy-7-methoxy-2,4,4-trimethylchromeno[3,4-e]isoindole-1,3-dione
PubChem CID52946922
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name6-hydroxy-7-methoxy-2,4,4-trimethylchromeno[3,4-e]isoindole-1,3-dione
SMILESCOc1ccc2c(c1O)OC(C)(C)c1c-2ccc2c1C(=O)N(C)C2=O
InChIInChI=1S/C19H17NO5/c1-19(2)14-9(5-6-11-13(14)18(23)20(3)17(11)22)10-7-8-12(24-4)15(21)16(10)25-19/h5-8,21H,1-4H3
InChIKeyDYHZIAPBGNZWBU-UHFFFAOYSA-N
XLogP2.92
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-methoxy-2,4,4-trimethylchromeno[3,4-e]isoindole-1,3-dione?
The IUPAC name of 6-hydroxy-7-methoxy-2,4,4-trimethylchromeno[3,4-e]isoindole-1,3-dione (CID 52946922) is 6-hydroxy-7-methoxy-2,4,4-trimethylchromeno[3,4-e]isoindole-1,3-dione.
What is the SMILES notation for 6-hydroxy-7-methoxy-2,4,4-trimethylchromeno[3,4-e]isoindole-1,3-dione?
The canonical SMILES for 6-hydroxy-7-methoxy-2,4,4-trimethylchromeno[3,4-e]isoindole-1,3-dione is COc1ccc2c(c1O)OC(C)(C)c1c-2ccc2c1C(=O)N(C)C2=O.
What is the InChIKey of 6-hydroxy-7-methoxy-2,4,4-trimethylchromeno[3,4-e]isoindole-1,3-dione?
The InChIKey is DYHZIAPBGNZWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-19(2)14-9(5-6-11-13(14)18(23)20(3)17(11)22)10-7-8-12(24-4)15(21)16(10)25-19/h5-8,21H,1-4H3.
What are the key properties of 6-hydroxy-7-methoxy-2,4,4-trimethylchromeno[3,4-e]isoindole-1,3-dione?
6-hydroxy-7-methoxy-2,4,4-trimethylchromeno[3,4-e]isoindole-1,3-dione has a molecular weight of 339.35 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-methoxy-2,4,4-trimethylchromeno[3,4-e]isoindole-1,3-dione is sourced from PubChem (CID 52946922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).