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

C24H21NO3 — CID 141372231

IUPAC1-[(3,5-dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione
SMILESCOc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C24H21NO3/c1-15-10-16(2)12-17(11-15)14-25-22-9-6-19(13-21(22)23(26)24(25)27)18-4-7-20(28-3)8-5-18/h4-13H,14H2,1-3H3
InChIKeyWGAZGFBNEIQNOH-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.71
Rot. Bonds4

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

1-[(3,5-dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione (PubChem CID 141372231) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione
PubChem CID141372231
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione
SMILESCOc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C24H21NO3/c1-15-10-16(2)12-17(11-15)14-25-22-9-6-19(13-21(22)23(26)24(25)27)18-4-7-20(28-3)8-5-18/h4-13H,14H2,1-3H3
InChIKeyWGAZGFBNEIQNOH-UHFFFAOYSA-N
XLogP4.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-bromophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione
CID 141372263
1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione
CID 141372246
1-[(4-methoxyphenyl)methyl]-2,3-dioxoindole-5-sulfonic acid
CID 129219106
1-[(5-bromo-3-pyridinyl)methyl]-5-methoxyindole-2,3-dione
CID 104798464
5-methoxy-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione
CID 115982073
5-methoxy-1-(methoxymethyl)indole-2,3-dione
CID 129354242
5-bromo-1-[(4-methylphenyl)methyl]indole-2,3-dione
CID 3598956
5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione
CID 52941359
tert-butyl (E)-3-[1-[(4-methoxyphenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enoate
CID 73212377
1-[(4-butoxyphenyl)methyl]-5-methylindole-2,3-dione
CID 4275201
1-but-2-ynyl-5-methoxyindole-2,3-dione
CID 55057460
5-(2-methylpropoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione
CID 52945621

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione (CID 141372231) is 1-[(3,5-dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione is COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione?
The InChIKey is WGAZGFBNEIQNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-15-10-16(2)12-17(11-15)14-25-22-9-6-19(13-21(22)23(26)24(25)27)18-4-7-20(28-3)8-5-18/h4-13H,14H2,1-3H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione?
1-[(3,5-dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione has a molecular weight of 371.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione is sourced from PubChem (CID 141372231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).