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

C23H19NO4 — CID 141372228

IUPAC5-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
SMILESCOc1ccc(CN2C(=O)C(=O)c3cc(-c4cccc(OC)c4)ccc32)cc1
InChIInChI=1S/C23H19NO4/c1-27-18-9-6-15(7-10-18)14-24-21-11-8-17(13-20(21)22(25)23(24)26)16-4-3-5-19(12-16)28-2/h3-13H,14H2,1-2H3
InChIKeyPDUSYNMFTDGWTI-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.10
Rot. Bonds5

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

5-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione (PubChem CID 141372228) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
PubChem CID141372228
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name5-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
SMILESCOc1ccc(CN2C(=O)C(=O)c3cc(-c4cccc(OC)c4)ccc32)cc1
InChIInChI=1S/C23H19NO4/c1-27-18-9-6-15(7-10-18)14-24-21-11-8-17(13-20(21)22(25)23(24)26)16-4-3-5-19(12-16)28-2/h3-13H,14H2,1-2H3
InChIKeyPDUSYNMFTDGWTI-UHFFFAOYSA-N
XLogP4.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione (CID 141372228) is 5-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione is COc1ccc(CN2C(=O)C(=O)c3cc(-c4cccc(OC)c4)ccc32)cc1.
What is the InChIKey of 5-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione?
The InChIKey is PDUSYNMFTDGWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-27-18-9-6-15(7-10-18)14-24-21-11-8-17(13-20(21)22(25)23(24)26)16-4-3-5-19(12-16)28-2/h3-13H,14H2,1-2H3.
What are the key properties of 5-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione?
5-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione has a molecular weight of 373.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 141372228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).