5-methoxy-1-(2-phenylethyl)indole-2,3-dione

C17H15NO3 — CID 61355458

IUPAC5-methoxy-1-(2-phenylethyl)indole-2,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2CCc1ccccc1
InChIInChI=1S/C17H15NO3/c1-21-13-7-8-15-14(11-13)16(19)17(20)18(15)10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyQJDVHKWUCBDPJD-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.47
Rot. Bonds4

About 5-methoxy-1-(2-phenylethyl)indole-2,3-dione

5-methoxy-1-(2-phenylethyl)indole-2,3-dione (PubChem CID 61355458) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-methoxy-1-(2-phenylethyl)indole-2,3-dione.

Molecular Properties

Compound Name5-methoxy-1-(2-phenylethyl)indole-2,3-dione
PubChem CID61355458
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name5-methoxy-1-(2-phenylethyl)indole-2,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2CCc1ccccc1
InChIInChI=1S/C17H15NO3/c1-21-13-7-8-15-14(11-13)16(19)17(20)18(15)10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyQJDVHKWUCBDPJD-UHFFFAOYSA-N
XLogP2.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.47
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

6-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone
CID 622180
5-Methoxyisatin
CID 38333
1-((4-Methoxyphenyl)methyl)-5-(trifluoromethoxy)-1H-indole-2,3-dione
CID 42633508
5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione
CID 2732752
1-(2-Phenoxyethyl)-5-(trifluoromethoxy)indoline-2,3-dione
CID 57525860
2-(4-Methoxy-phenyl)-2,3-dihydro-isoindol-1-one
CID 829359
8-Methoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CID 2926974
5-Benzyloxyisatin
CID 16792980
2-[4-(dimethylamino)phenyl]-5-methoxy-3H-isoindol-1-one
CID 25266314
2-[4-(Dimethylamino)phenyl]-5-methoxyisoindole-1,3-dione
CID 25270868
1-[(4-Phenylphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
CID 45281794
1-(4-Ethoxybenzoyl)indoline
CID 669395

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(2-phenylethyl)indole-2,3-dione?
The IUPAC name of 5-methoxy-1-(2-phenylethyl)indole-2,3-dione (CID 61355458) is 5-methoxy-1-(2-phenylethyl)indole-2,3-dione.
What is the SMILES notation for 5-methoxy-1-(2-phenylethyl)indole-2,3-dione?
The canonical SMILES for 5-methoxy-1-(2-phenylethyl)indole-2,3-dione is COc1ccc2c(c1)C(=O)C(=O)N2CCc1ccccc1.
What is the InChIKey of 5-methoxy-1-(2-phenylethyl)indole-2,3-dione?
The InChIKey is QJDVHKWUCBDPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-21-13-7-8-15-14(11-13)16(19)17(20)18(15)10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3.
What are the key properties of 5-methoxy-1-(2-phenylethyl)indole-2,3-dione?
5-methoxy-1-(2-phenylethyl)indole-2,3-dione has a molecular weight of 281.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(2-phenylethyl)indole-2,3-dione is sourced from PubChem (CID 61355458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).