2-(2,5-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one

C17H15Cl2NO2 — CID 3136967

IUPAC2-(2,5-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(Oc1cc(Cl)ccc1Cl)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H15Cl2NO2/c1-11(22-16-10-13(18)6-7-14(16)19)17(21)20-9-8-12-4-2-3-5-15(12)20/h2-7,10-11H,8-9H2,1H3
InChIKeyVJPQGQKYEPPMAS-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.35
Rot. Bonds3

About 2-(2,5-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one

2-(2,5-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 3136967) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID3136967
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC Name2-(2,5-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(Oc1cc(Cl)ccc1Cl)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H15Cl2NO2/c1-11(22-16-10-13(18)6-7-14(16)19)17(21)20-9-8-12-4-2-3-5-15(12)20/h2-7,10-11H,8-9H2,1H3
InChIKeyVJPQGQKYEPPMAS-UHFFFAOYSA-N
XLogP4.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-(2,5-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 3136967) is 2-(2,5-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one is CC(Oc1cc(Cl)ccc1Cl)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is VJPQGQKYEPPMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c1-11(22-16-10-13(18)6-7-14(16)19)17(21)20-9-8-12-4-2-3-5-15(12)20/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 2-(2,5-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
2-(2,5-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 336.22 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 3136967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).