1-[3-(2-methoxyphenoxy)propyl]-7-methylindole-2,3-dione

C19H19NO4 — CID 2141776

IUPAC1-[3-(2-methoxyphenoxy)propyl]-7-methylindole-2,3-dione
SMILESCOc1ccccc1OCCCN1C(=O)C(=O)c2cccc(C)c21
InChIInChI=1S/C19H19NO4/c1-13-7-5-8-14-17(13)20(19(22)18(14)21)11-6-12-24-16-10-4-3-9-15(16)23-2/h3-5,7-10H,6,11-12H2,1-2H3
InChIKeyRUKPFYZCIFCSBG-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.00
Rot. Bonds6

About 1-[3-(2-methoxyphenoxy)propyl]-7-methylindole-2,3-dione

1-[3-(2-methoxyphenoxy)propyl]-7-methylindole-2,3-dione (PubChem CID 2141776) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenoxy)propyl]-7-methylindole-2,3-dione.

Molecular Properties

Compound Name1-[3-(2-methoxyphenoxy)propyl]-7-methylindole-2,3-dione
PubChem CID2141776
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1-[3-(2-methoxyphenoxy)propyl]-7-methylindole-2,3-dione
SMILESCOc1ccccc1OCCCN1C(=O)C(=O)c2cccc(C)c21
InChIInChI=1S/C19H19NO4/c1-13-7-5-8-14-17(13)20(19(22)18(14)21)11-6-12-24-16-10-4-3-9-15(16)23-2/h3-5,7-10H,6,11-12H2,1-2H3
InChIKeyRUKPFYZCIFCSBG-UHFFFAOYSA-N
XLogP3.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenoxy)propyl]-7-methylindole-2,3-dione?
The IUPAC name of 1-[3-(2-methoxyphenoxy)propyl]-7-methylindole-2,3-dione (CID 2141776) is 1-[3-(2-methoxyphenoxy)propyl]-7-methylindole-2,3-dione.
What is the SMILES notation for 1-[3-(2-methoxyphenoxy)propyl]-7-methylindole-2,3-dione?
The canonical SMILES for 1-[3-(2-methoxyphenoxy)propyl]-7-methylindole-2,3-dione is COc1ccccc1OCCCN1C(=O)C(=O)c2cccc(C)c21.
What is the InChIKey of 1-[3-(2-methoxyphenoxy)propyl]-7-methylindole-2,3-dione?
The InChIKey is RUKPFYZCIFCSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13-7-5-8-14-17(13)20(19(22)18(14)21)11-6-12-24-16-10-4-3-9-15(16)23-2/h3-5,7-10H,6,11-12H2,1-2H3.
What are the key properties of 1-[3-(2-methoxyphenoxy)propyl]-7-methylindole-2,3-dione?
1-[3-(2-methoxyphenoxy)propyl]-7-methylindole-2,3-dione has a molecular weight of 325.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenoxy)propyl]-7-methylindole-2,3-dione is sourced from PubChem (CID 2141776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).