2-(3-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one

C17H16ClNO2 — CID 2932497

IUPAC2-(3-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H16ClNO2/c1-12(21-15-7-4-6-14(18)11-15)17(20)19-10-9-13-5-2-3-8-16(13)19/h2-8,11-12H,9-10H2,1H3
InChIKeyFRZDGSQLKZUCOB-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.70
Rot. Bonds3

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

2-(3-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 2932497) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID2932497
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name2-(3-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H16ClNO2/c1-12(21-15-7-4-6-14(18)11-15)17(20)19-10-9-13-5-2-3-8-16(13)19/h2-8,11-12H,9-10H2,1H3
InChIKeyFRZDGSQLKZUCOB-UHFFFAOYSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-(3-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 2932497) is 2-(3-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one is CC(Oc1cccc(Cl)c1)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is FRZDGSQLKZUCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-12(21-15-7-4-6-14(18)11-15)17(20)19-10-9-13-5-2-3-8-16(13)19/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one?
2-(3-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 301.77 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 2932497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).