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

C18H15NO5 — CID 52943268

IUPAC6-hydroxy-7-methoxy-4,4-dimethylchromeno[3,4-e]isoindole-1,3-dione
SMILESCOc1ccc2c(c1O)OC(C)(C)c1c-2ccc2c1C(=O)NC2=O
InChIInChI=1S/C18H15NO5/c1-18(2)13-8(4-5-10-12(13)17(22)19-16(10)21)9-6-7-11(23-3)14(20)15(9)24-18/h4-7,20H,1-3H3,(H,19,21,22)
InChIKeyXRFMCUGLCILZHL-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.58
Rot. Bonds1

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

6-hydroxy-7-methoxy-4,4-dimethylchromeno[3,4-e]isoindole-1,3-dione (PubChem CID 52943268) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 6-hydroxy-7-methoxy-4,4-dimethylchromeno[3,4-e]isoindole-1,3-dione.

Molecular Properties

Compound Name6-hydroxy-7-methoxy-4,4-dimethylchromeno[3,4-e]isoindole-1,3-dione
PubChem CID52943268
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name6-hydroxy-7-methoxy-4,4-dimethylchromeno[3,4-e]isoindole-1,3-dione
SMILESCOc1ccc2c(c1O)OC(C)(C)c1c-2ccc2c1C(=O)NC2=O
InChIInChI=1S/C18H15NO5/c1-18(2)13-8(4-5-10-12(13)17(22)19-16(10)21)9-6-7-11(23-3)14(20)15(9)24-18/h4-7,20H,1-3H3,(H,19,21,22)
InChIKeyXRFMCUGLCILZHL-UHFFFAOYSA-N
XLogP2.58
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
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-4,4-dimethylchromeno[3,4-e]isoindole-1,3-dione?
The IUPAC name of 6-hydroxy-7-methoxy-4,4-dimethylchromeno[3,4-e]isoindole-1,3-dione (CID 52943268) is 6-hydroxy-7-methoxy-4,4-dimethylchromeno[3,4-e]isoindole-1,3-dione.
What is the SMILES notation for 6-hydroxy-7-methoxy-4,4-dimethylchromeno[3,4-e]isoindole-1,3-dione?
The canonical SMILES for 6-hydroxy-7-methoxy-4,4-dimethylchromeno[3,4-e]isoindole-1,3-dione is COc1ccc2c(c1O)OC(C)(C)c1c-2ccc2c1C(=O)NC2=O.
What is the InChIKey of 6-hydroxy-7-methoxy-4,4-dimethylchromeno[3,4-e]isoindole-1,3-dione?
The InChIKey is XRFMCUGLCILZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-18(2)13-8(4-5-10-12(13)17(22)19-16(10)21)9-6-7-11(23-3)14(20)15(9)24-18/h4-7,20H,1-3H3,(H,19,21,22).
What are the key properties of 6-hydroxy-7-methoxy-4,4-dimethylchromeno[3,4-e]isoindole-1,3-dione?
6-hydroxy-7-methoxy-4,4-dimethylchromeno[3,4-e]isoindole-1,3-dione has a molecular weight of 325.32 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-methoxy-4,4-dimethylchromeno[3,4-e]isoindole-1,3-dione is sourced from PubChem (CID 52943268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).