2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione

C25H17NO3 — CID 168516695

IUPAC2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione
SMILESCOc1ccc2cc(-c3cccc(N4C(=O)c5ccccc5C4=O)c3)ccc2c1
InChIInChI=1S/C25H17NO3/c1-29-21-12-11-18-13-17(9-10-19(18)15-21)16-5-4-6-20(14-16)26-24(27)22-7-2-3-8-23(22)25(26)28/h2-15H,1H3
InChIKeyFPWXPLLBEYESCC-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.32
Rot. Bonds3

About 2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione

2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione (PubChem CID 168516695) has the molecular formula C25H17NO3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione
PubChem CID168516695
Molecular FormulaC25H17NO3
Molecular Weight379.42 g/mol
Exact Mass379.12
IUPAC Name2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione
SMILESCOc1ccc2cc(-c3cccc(N4C(=O)c5ccccc5C4=O)c3)ccc2c1
InChIInChI=1S/C25H17NO3/c1-29-21-12-11-18-13-17(9-10-19(18)15-21)16-5-4-6-20(14-16)26-24(27)22-7-2-3-8-23(22)25(26)28/h2-15H,1H3
InChIKeyFPWXPLLBEYESCC-UHFFFAOYSA-N
XLogP5.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.32
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

2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
2-[3-(3,4,5-trimethoxyphenyl)phenyl]isoindole-1,3-dione
CID 168517559
2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 168519023
2-methoxy-6-phenylnaphthalene
CID 11253308
2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione
CID 168517354
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione
CID 168517614
2-methoxy-7-(2-phenylphenyl)naphthalene
CID 141340555
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
CID 44537911
2-tert-butylisoindole-1,3-dione;2-(3-tert-butylphenyl)isoindole-1,3-dione;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
CID 157087503
2-phenyl-6-(6-phenylnaphthalen-2-yl)benzo[de]isoquinoline-1,3-dione
CID 137492354

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione (CID 168516695) is 2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione is COc1ccc2cc(-c3cccc(N4C(=O)c5ccccc5C4=O)c3)ccc2c1.
What is the InChIKey of 2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione?
The InChIKey is FPWXPLLBEYESCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO3/c1-29-21-12-11-18-13-17(9-10-19(18)15-21)16-5-4-6-20(14-16)26-24(27)22-7-2-3-8-23(22)25(26)28/h2-15H,1H3.
What are the key properties of 2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione?
2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione has a molecular weight of 379.42 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168516695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).