1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole

C24H23NO — CID 54477887

IUPAC1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole
SMILESCOc1cc(C=Cc2ccc(C)cc2)ccc1C1NCc2ccccc21
InChIInChI=1S/C24H23NO/c1-17-7-9-18(10-8-17)11-12-19-13-14-22(23(15-19)26-2)24-21-6-4-3-5-20(21)16-25-24/h3-15,24-25H,16H2,1-2H3
InChIKeyXMWJJAZKLRTRIC-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.37
Rot. Bonds4

About 1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole

1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole (PubChem CID 54477887) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole
PubChem CID54477887
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole
SMILESCOc1cc(C=Cc2ccc(C)cc2)ccc1C1NCc2ccccc21
InChIInChI=1S/C24H23NO/c1-17-7-9-18(10-8-17)11-12-19-13-14-22(23(15-19)26-2)24-21-6-4-3-5-20(21)16-25-24/h3-15,24-25H,16H2,1-2H3
InChIKeyXMWJJAZKLRTRIC-UHFFFAOYSA-N
XLogP5.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole (CID 54477887) is 1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole is COc1cc(C=Cc2ccc(C)cc2)ccc1C1NCc2ccccc21.
What is the InChIKey of 1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole?
The InChIKey is XMWJJAZKLRTRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-17-7-9-18(10-8-17)11-12-19-13-14-22(23(15-19)26-2)24-21-6-4-3-5-20(21)16-25-24/h3-15,24-25H,16H2,1-2H3.
What are the key properties of 1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole?
1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole has a molecular weight of 341.45 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-[2-(4-methylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 54477887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).