2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)ethanone

C17H16BrNO2 — CID 674947

IUPAC2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESCc1cc(Br)ccc1OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H16BrNO2/c1-12-10-14(18)6-7-16(12)21-11-17(20)19-9-8-13-4-2-3-5-15(13)19/h2-7,10H,8-9,11H2,1H3
InChIKeyZDGWFSYJFZKSNY-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.73
Rot. Bonds3

About 2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)ethanone

2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 674947) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID674947
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESCc1cc(Br)ccc1OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H16BrNO2/c1-12-10-14(18)6-7-16(12)21-11-17(20)19-9-8-13-4-2-3-5-15(13)19/h2-7,10H,8-9,11H2,1H3
InChIKeyZDGWFSYJFZKSNY-UHFFFAOYSA-N
XLogP3.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)ethanone (CID 674947) is 2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)ethanone is Cc1cc(Br)ccc1OCC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is ZDGWFSYJFZKSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-12-10-14(18)6-7-16(12)21-11-17(20)19-9-8-13-4-2-3-5-15(13)19/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)ethanone?
2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 346.22 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 674947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).