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

C23H19NO3 — CID 141372282

IUPAC1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)indole-2,3-dione
SMILESCOc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(C)cc4)ccc32)cc1
InChIInChI=1S/C23H19NO3/c1-15-3-7-17(8-4-15)18-9-12-21-20(13-18)22(25)23(26)24(21)14-16-5-10-19(27-2)11-6-16/h3-13H,14H2,1-2H3
InChIKeyXKJFCFXXZCBKPX-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.40
Rot. Bonds4

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

1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)indole-2,3-dione (PubChem CID 141372282) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)indole-2,3-dione.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)indole-2,3-dione
PubChem CID141372282
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)indole-2,3-dione
SMILESCOc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(C)cc4)ccc32)cc1
InChIInChI=1S/C23H19NO3/c1-15-3-7-17(8-4-15)18-9-12-21-20(13-18)22(25)23(26)24(21)14-16-5-10-19(27-2)11-6-16/h3-13H,14H2,1-2H3
InChIKeyXKJFCFXXZCBKPX-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 1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)indole-2,3-dione?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)indole-2,3-dione (CID 141372282) is 1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)indole-2,3-dione.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)indole-2,3-dione?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)indole-2,3-dione is COc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(C)cc4)ccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)indole-2,3-dione?
The InChIKey is XKJFCFXXZCBKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-15-3-7-17(8-4-15)18-9-12-21-20(13-18)22(25)23(26)24(21)14-16-5-10-19(27-2)11-6-16/h3-13H,14H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)indole-2,3-dione?
1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)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 1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)indole-2,3-dione is sourced from PubChem (CID 141372282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).