1-(2-methoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one

C24H25NO2 — CID 20864887

IUPAC1-(2-methoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one
SMILESCOc1ccccc1-n1c(-c2ccc(C)cc2)cc2c1CC(C)(C)CC2=O
InChIInChI=1S/C24H25NO2/c1-16-9-11-17(12-10-16)20-13-18-21(14-24(2,3)15-22(18)26)25(20)19-7-5-6-8-23(19)27-4/h5-13H,14-15H2,1-4H3
InChIKeyBIPITVSOMFJFGX-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.62
Rot. Bonds3

About 1-(2-methoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one

1-(2-methoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one (PubChem CID 20864887) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one
PubChem CID20864887
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name1-(2-methoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one
SMILESCOc1ccccc1-n1c(-c2ccc(C)cc2)cc2c1CC(C)(C)CC2=O
InChIInChI=1S/C24H25NO2/c1-16-9-11-17(12-10-16)20-13-18-21(14-24(2,3)15-22(18)26)25(20)19-7-5-6-8-23(19)27-4/h5-13H,14-15H2,1-4H3
InChIKeyBIPITVSOMFJFGX-UHFFFAOYSA-N
XLogP5.62
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one?
The IUPAC name of 1-(2-methoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one (CID 20864887) is 1-(2-methoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(2-methoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one is COc1ccccc1-n1c(-c2ccc(C)cc2)cc2c1CC(C)(C)CC2=O.
What is the InChIKey of 1-(2-methoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one?
The InChIKey is BIPITVSOMFJFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-16-9-11-17(12-10-16)20-13-18-21(14-24(2,3)15-22(18)26)25(20)19-7-5-6-8-23(19)27-4/h5-13H,14-15H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one?
1-(2-methoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one has a molecular weight of 359.47 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroindol-4-one is sourced from PubChem (CID 20864887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).