8-methoxy-4-methylbenzo[e]isoindole-1,3-dione

C14H11NO3 — CID 45484141

IUPAC8-methoxy-4-methylbenzo[e]isoindole-1,3-dione
SMILESCOc1ccc2cc(C)c3c(c2c1)C(=O)NC3=O
InChIInChI=1S/C14H11NO3/c1-7-5-8-3-4-9(18-2)6-10(8)12-11(7)13(16)15-14(12)17/h3-6H,1-2H3,(H,15,16,17)
InChIKeyKGRXTFGXOYVKRL-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.04
Rot. Bonds1

About 8-methoxy-4-methylbenzo[e]isoindole-1,3-dione

8-methoxy-4-methylbenzo[e]isoindole-1,3-dione (PubChem CID 45484141) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 8-methoxy-4-methylbenzo[e]isoindole-1,3-dione.

Molecular Properties

Compound Name8-methoxy-4-methylbenzo[e]isoindole-1,3-dione
PubChem CID45484141
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name8-methoxy-4-methylbenzo[e]isoindole-1,3-dione
SMILESCOc1ccc2cc(C)c3c(c2c1)C(=O)NC3=O
InChIInChI=1S/C14H11NO3/c1-7-5-8-3-4-9(18-2)6-10(8)12-11(7)13(16)15-14(12)17/h3-6H,1-2H3,(H,15,16,17)
InChIKeyKGRXTFGXOYVKRL-UHFFFAOYSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-methylbenzo[e]isoindole-1,3-dione?
The IUPAC name of 8-methoxy-4-methylbenzo[e]isoindole-1,3-dione (CID 45484141) is 8-methoxy-4-methylbenzo[e]isoindole-1,3-dione.
What is the SMILES notation for 8-methoxy-4-methylbenzo[e]isoindole-1,3-dione?
The canonical SMILES for 8-methoxy-4-methylbenzo[e]isoindole-1,3-dione is COc1ccc2cc(C)c3c(c2c1)C(=O)NC3=O.
What is the InChIKey of 8-methoxy-4-methylbenzo[e]isoindole-1,3-dione?
The InChIKey is KGRXTFGXOYVKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-7-5-8-3-4-9(18-2)6-10(8)12-11(7)13(16)15-14(12)17/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 8-methoxy-4-methylbenzo[e]isoindole-1,3-dione?
8-methoxy-4-methylbenzo[e]isoindole-1,3-dione has a molecular weight of 241.25 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-methylbenzo[e]isoindole-1,3-dione is sourced from PubChem (CID 45484141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).