5-methoxy-2-(3-methylphenyl)benzo[f]isoindole-1,3-dione

C20H15NO3 — CID 155532097

IUPAC5-methoxy-2-(3-methylphenyl)benzo[f]isoindole-1,3-dione
SMILESCOc1cccc2cc3c(cc12)C(=O)N(c1cccc(C)c1)C3=O
InChIInChI=1S/C20H15NO3/c1-12-5-3-7-14(9-12)21-19(22)16-10-13-6-4-8-18(24-2)15(13)11-17(16)20(21)23/h3-11H,1-2H3
InChIKeyIRVZNOMPSSPYHS-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.96
Rot. Bonds2

About 5-methoxy-2-(3-methylphenyl)benzo[f]isoindole-1,3-dione

5-methoxy-2-(3-methylphenyl)benzo[f]isoindole-1,3-dione (PubChem CID 155532097) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-methoxy-2-(3-methylphenyl)benzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name5-methoxy-2-(3-methylphenyl)benzo[f]isoindole-1,3-dione
PubChem CID155532097
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name5-methoxy-2-(3-methylphenyl)benzo[f]isoindole-1,3-dione
SMILESCOc1cccc2cc3c(cc12)C(=O)N(c1cccc(C)c1)C3=O
InChIInChI=1S/C20H15NO3/c1-12-5-3-7-14(9-12)21-19(22)16-10-13-6-4-8-18(24-2)15(13)11-17(16)20(21)23/h3-11H,1-2H3
InChIKeyIRVZNOMPSSPYHS-UHFFFAOYSA-N
XLogP3.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sauristolactam
CID 131002
Cepharanone B
CID 162739
Aristolactam Biii
CID 14526428
14,15-Dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
CID 21680139
N-{4-[2-(4-Methoxyphenyl)ethyl]phenyl}phthalimide
CID 44537911
2,3-Dihydroindol-1-yl-(3-methoxynaphthalen-2-yl)methanone
CID 2634576
4,5,14,15-Tetramethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
CID 14526434
2-[4-(4,9-Dimethoxy-1,3-dioxobenzo[f]isoindol-2-yl)phenyl]acetic acid
CID 21079296
KO-202125
CID 25265184
N-Methyl Piperolactam A
CID 25264744
N-{4-[2-(3-Methoxyphenyl)ethyl]phenyl}phthalimide
CID 45481844
4,5-dimethoxy-2-(3-methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 748484

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(3-methylphenyl)benzo[f]isoindole-1,3-dione?
The IUPAC name of 5-methoxy-2-(3-methylphenyl)benzo[f]isoindole-1,3-dione (CID 155532097) is 5-methoxy-2-(3-methylphenyl)benzo[f]isoindole-1,3-dione.
What is the SMILES notation for 5-methoxy-2-(3-methylphenyl)benzo[f]isoindole-1,3-dione?
The canonical SMILES for 5-methoxy-2-(3-methylphenyl)benzo[f]isoindole-1,3-dione is COc1cccc2cc3c(cc12)C(=O)N(c1cccc(C)c1)C3=O.
What is the InChIKey of 5-methoxy-2-(3-methylphenyl)benzo[f]isoindole-1,3-dione?
The InChIKey is IRVZNOMPSSPYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c1-12-5-3-7-14(9-12)21-19(22)16-10-13-6-4-8-18(24-2)15(13)11-17(16)20(21)23/h3-11H,1-2H3.
What are the key properties of 5-methoxy-2-(3-methylphenyl)benzo[f]isoindole-1,3-dione?
5-methoxy-2-(3-methylphenyl)benzo[f]isoindole-1,3-dione has a molecular weight of 317.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(3-methylphenyl)benzo[f]isoindole-1,3-dione is sourced from PubChem (CID 155532097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).