5-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]indole-2,3-dione

C23H19NO3 — CID 141372241

IUPAC5-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]indole-2,3-dione
SMILESCOc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(C)cc2)cc1
InChIInChI=1S/C23H19NO3/c1-15-3-5-16(6-4-15)14-24-21-12-9-18(13-20(21)22(25)23(24)26)17-7-10-19(27-2)11-8-17/h3-13H,14H2,1-2H3
InChIKeyBKMFYLVWVWRHKN-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.40
Rot. Bonds4

About 5-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]indole-2,3-dione

5-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]indole-2,3-dione (PubChem CID 141372241) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]indole-2,3-dione
PubChem CID141372241
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name5-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]indole-2,3-dione
SMILESCOc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(C)cc2)cc1
InChIInChI=1S/C23H19NO3/c1-15-3-5-16(6-4-15)14-24-21-12-9-18(13-20(21)22(25)23(24)26)17-7-10-19(27-2)11-8-17/h3-13H,14H2,1-2H3
InChIKeyBKMFYLVWVWRHKN-UHFFFAOYSA-N
XLogP4.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]indole-2,3-dione (CID 141372241) is 5-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]indole-2,3-dione is COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(C)cc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]indole-2,3-dione?
The InChIKey is BKMFYLVWVWRHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-15-3-5-16(6-4-15)14-24-21-12-9-18(13-20(21)22(25)23(24)26)17-7-10-19(27-2)11-8-17/h3-13H,14H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]indole-2,3-dione?
5-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]indole-2,3-dione has a molecular weight of 357.41 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 141372241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).