1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one

C19H23NO2 — CID 5267575

IUPAC1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCCOc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=O)cc1
InChIInChI=1S/C19H23NO2/c1-5-22-15-8-6-14(7-9-15)20-13(2)10-16-17(20)11-19(3,4)12-18(16)21/h6-10H,5,11-12H2,1-4H3
InChIKeyDMCLYZRXUOGIAJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.34
Rot. Bonds3

About 1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one

1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one (PubChem CID 5267575) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
PubChem CID5267575
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCCOc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=O)cc1
InChIInChI=1S/C19H23NO2/c1-5-22-15-8-6-14(7-9-15)20-13(2)10-16-17(20)11-19(3,4)12-18(16)21/h6-10H,5,11-12H2,1-4H3
InChIKeyDMCLYZRXUOGIAJ-UHFFFAOYSA-N
XLogP4.34
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one (CID 5267575) is 1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one is CCOc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The InChIKey is DMCLYZRXUOGIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-5-22-15-8-6-14(7-9-15)20-13(2)10-16-17(20)11-19(3,4)12-18(16)21/h6-10H,5,11-12H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one has a molecular weight of 297.40 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 5267575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).