1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione

C18H17NO3 — CID 18802236

IUPAC1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione
SMILESCc1cccc(OCCN2C(=O)C(=O)c3ccccc32)c1C
InChIInChI=1S/C18H17NO3/c1-12-6-5-9-16(13(12)2)22-11-10-19-15-8-4-3-7-14(15)17(20)18(19)21/h3-9H,10-11H2,1-2H3
InChIKeyZOKKEOPDTFNSAV-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.91
Rot. Bonds4

About 1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione

1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione (PubChem CID 18802236) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione
PubChem CID18802236
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione
SMILESCc1cccc(OCCN2C(=O)C(=O)c3ccccc32)c1C
InChIInChI=1S/C18H17NO3/c1-12-6-5-9-16(13(12)2)22-11-10-19-15-8-4-3-7-14(15)17(20)18(19)21/h3-9H,10-11H2,1-2H3
InChIKeyZOKKEOPDTFNSAV-UHFFFAOYSA-N
XLogP2.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.91
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-(2,3-dimethylphenoxy)butyl]indole-2,3-dione
CID 18802266
7-chloro-1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione
CID 18803529
1-[2-(2,3-dichlorophenoxy)ethyl]indole-2,3-dione
CID 18802238
1-[2-(4-tert-butylphenoxy)ethyl]indole-2,3-dione
CID 3157902
1-(2-propoxyethyl)indole-2,3-dione
CID 106453634
7-bromo-1-[4-(2,3-dimethylphenoxy)butyl]-5-methylindole-2,3-dione
CID 18802651
1-[2-(2,5-dichlorophenoxy)ethyl]-7-methylindole-2,3-dione
CID 18803273
1-(2-methoxyethyl)-7-methylindole-2,3-dione
CID 61146079
1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione
CID 82116147
1-(5-chloropentyl)indole-2,3-dione
CID 43348362
1-[[3,5-bis[(2,3-dioxoindol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]indole-2,3-dione
CID 139203556
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione?
The IUPAC name of 1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione (CID 18802236) is 1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione.
What is the SMILES notation for 1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione?
The canonical SMILES for 1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione is Cc1cccc(OCCN2C(=O)C(=O)c3ccccc32)c1C.
What is the InChIKey of 1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione?
The InChIKey is ZOKKEOPDTFNSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12-6-5-9-16(13(12)2)22-11-10-19-15-8-4-3-7-14(15)17(20)18(19)21/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione?
1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione has a molecular weight of 295.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylphenoxy)ethyl]indole-2,3-dione is sourced from PubChem (CID 18802236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).