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

C29H23NO4 — CID 52941359

IUPAC5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione
SMILESCOc1ccccc1COc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H23NO4/c1-33-27-10-6-5-9-23(27)19-34-24-15-16-26-25(17-24)28(31)29(32)30(26)18-20-11-13-22(14-12-20)21-7-3-2-4-8-21/h2-17H,18-19H2,1H3
InChIKeyVGMSQQKDVWCUCW-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.67
Rot. Bonds7

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

5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione (PubChem CID 52941359) has the molecular formula C29H23NO4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione
PubChem CID52941359
Molecular FormulaC29H23NO4
Molecular Weight449.51 g/mol
Exact Mass449.16
IUPAC Name5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione
SMILESCOc1ccccc1COc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H23NO4/c1-33-27-10-6-5-9-23(27)19-34-24-15-16-26-25(17-24)28(31)29(32)30(26)18-20-11-13-22(14-12-20)21-7-3-2-4-8-21/h2-17H,18-19H2,1H3
InChIKeyVGMSQQKDVWCUCW-UHFFFAOYSA-N
XLogP5.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.67
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-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione (CID 52941359) is 5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione is COc1ccccc1COc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
The InChIKey is VGMSQQKDVWCUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO4/c1-33-27-10-6-5-9-23(27)19-34-24-15-16-26-25(17-24)28(31)29(32)30(26)18-20-11-13-22(14-12-20)21-7-3-2-4-8-21/h2-17H,18-19H2,1H3.
What are the key properties of 5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione has a molecular weight of 449.51 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 52941359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).