2-(7-methoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione

C19H13NO5 — CID 800920

IUPAC2-(7-methoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione
SMILESCOc1ccc2c(=O)c(N3C(=O)c4ccccc4C3=O)c(C)oc2c1
InChIInChI=1S/C19H13NO5/c1-10-16(17(21)14-8-7-11(24-2)9-15(14)25-10)20-18(22)12-5-3-4-6-13(12)19(20)23/h3-9H,1-2H3
InChIKeyGUZWLBYHTVETFN-UHFFFAOYSA-N
MW335.32 g/mol
LogP2.91
Rot. Bonds2

About 2-(7-methoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione

2-(7-methoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione (PubChem CID 800920) has the molecular formula C19H13NO5 and a molecular weight of 335.32 g/mol. Its IUPAC name is 2-(7-methoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(7-methoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione
PubChem CID800920
Molecular FormulaC19H13NO5
Molecular Weight335.32 g/mol
Exact Mass335.08
IUPAC Name2-(7-methoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione
SMILESCOc1ccc2c(=O)c(N3C(=O)c4ccccc4C3=O)c(C)oc2c1
InChIInChI=1S/C19H13NO5/c1-10-16(17(21)14-8-7-11(24-2)9-15(14)25-10)20-18(22)12-5-3-4-6-13(12)19(20)23/h3-9H,1-2H3
InChIKeyGUZWLBYHTVETFN-UHFFFAOYSA-N
XLogP2.91
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
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 2-(7-methoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(7-methoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione (CID 800920) is 2-(7-methoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(7-methoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(7-methoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione is COc1ccc2c(=O)c(N3C(=O)c4ccccc4C3=O)c(C)oc2c1.
What is the InChIKey of 2-(7-methoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione?
The InChIKey is GUZWLBYHTVETFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO5/c1-10-16(17(21)14-8-7-11(24-2)9-15(14)25-10)20-18(22)12-5-3-4-6-13(12)19(20)23/h3-9H,1-2H3.
What are the key properties of 2-(7-methoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione?
2-(7-methoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione has a molecular weight of 335.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 800920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).