1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one

C18H21NO2 — CID 63464979

IUPAC1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCCOc1cccc(-n2ccc3c2CC(C)(C)CC3=O)c1
InChIInChI=1S/C18H21NO2/c1-4-21-14-7-5-6-13(10-14)19-9-8-15-16(19)11-18(2,3)12-17(15)20/h5-10H,4,11-12H2,1-3H3
InChIKeyBVCLPNAUXWNWBJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.03
Rot. Bonds3

About 1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one

1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one (PubChem CID 63464979) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one
PubChem CID63464979
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCCOc1cccc(-n2ccc3c2CC(C)(C)CC3=O)c1
InChIInChI=1S/C18H21NO2/c1-4-21-14-7-5-6-13(10-14)19-9-8-15-16(19)11-18(2,3)12-17(15)20/h5-10H,4,11-12H2,1-3H3
InChIKeyBVCLPNAUXWNWBJ-UHFFFAOYSA-N
XLogP4.03
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one (CID 63464979) is 1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one is CCOc1cccc(-n2ccc3c2CC(C)(C)CC3=O)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The InChIKey is BVCLPNAUXWNWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-21-14-7-5-6-13(10-14)19-9-8-15-16(19)11-18(2,3)12-17(15)20/h5-10H,4,11-12H2,1-3H3.
What are the key properties of 1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one has a molecular weight of 283.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-6,6-dimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 63464979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).