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

C25H23NO3 — CID 52945621

IUPAC5-(2-methylpropoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione
SMILESCC(C)COc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H23NO3/c1-17(2)16-29-21-12-13-23-22(14-21)24(27)25(28)26(23)15-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-14,17H,15-16H2,1-2H3
InChIKeySVJKQCQWDXUFQO-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.12
Rot. Bonds6

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

5-(2-methylpropoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione (PubChem CID 52945621) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 5-(2-methylpropoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-(2-methylpropoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione
PubChem CID52945621
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name5-(2-methylpropoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione
SMILESCC(C)COc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H23NO3/c1-17(2)16-29-21-12-13-23-22(14-21)24(27)25(28)26(23)15-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-14,17H,15-16H2,1-2H3
InChIKeySVJKQCQWDXUFQO-UHFFFAOYSA-N
XLogP5.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.12
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

5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione
CID 52941359
1-[(4-phenylphenyl)methyl]-5-pyridin-2-yloxyindole-2,3-dione
CID 52947760
1-[(4-bromophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione
CID 141372263
1-[(4-phenoxyphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
CID 44602489
1-[(4-methoxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]indole-2,3-dione
CID 141372246
1-[(4-butoxyphenyl)methyl]-5-methylindole-2,3-dione
CID 4275201
5-chloro-1-[(4-propoxyphenyl)methyl]indole-2,3-dione
CID 9191121
1-[(3,5-dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione
CID 141372231
5-amino-1-benzylindole-2,3-dione
CID 53306407
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 139227622
1-[[4-(difluoromethoxy)phenyl]methyl]indole-2,3-dione
CID 171797054
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-(2-methylpropoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione (CID 52945621) is 5-(2-methylpropoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-(2-methylpropoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-(2-methylpropoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione is CC(C)COc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-(2-methylpropoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
The InChIKey is SVJKQCQWDXUFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-17(2)16-29-21-12-13-23-22(14-21)24(27)25(28)26(23)15-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-14,17H,15-16H2,1-2H3.
What are the key properties of 5-(2-methylpropoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
5-(2-methylpropoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione has a molecular weight of 385.46 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropoxy)-1-[(4-phenylphenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 52945621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).