1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone

C18H19NO2 — CID 833324

IUPAC1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone
SMILESCCc1ccc(OCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-2-14-7-9-16(10-8-14)21-13-18(20)19-12-11-15-5-3-4-6-17(15)19/h3-10H,2,11-13H2,1H3
InChIKeyCDMSAEQFRBYBDJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.22
Rot. Bonds4

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

1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone (PubChem CID 833324) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone
PubChem CID833324
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone
SMILESCCc1ccc(OCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-2-14-7-9-16(10-8-14)21-13-18(20)19-12-11-15-5-3-4-6-17(15)19/h3-10H,2,11-13H2,1H3
InChIKeyCDMSAEQFRBYBDJ-UHFFFAOYSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Ethoxybenzoyl)indoline
CID 669395
3-(4-ethoxybenzyl)-1,3-benzoxazol-2(3H)-one
CID 2989877
4-(4-Methoxy-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1431724
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(o-tolyloxy)ethanone
CID 724133
1-[(3-Methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 668306
2-(2-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 759341
2-(2-Chloro-phenoxy)-1-(2,3-dihydro-indol-1-yl)-ethanone
CID 823401
5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one
CID 851216
5-Methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
CID 851217
5-Methyl-3-[3-(2-methylphenoxy)propyl]-1,3-benzoxazol-2-one
CID 2130277
5-Methyl-3-(3-m-tolyloxy-propyl)-3H-benzooxazol-2-one
CID 2130278
5-methyl-3-(4-propoxybenzyl)benzo[d]oxazol-2(3H)-one
CID 2141780

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone (CID 833324) is 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone is CCc1ccc(OCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone?
The InChIKey is CDMSAEQFRBYBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-14-7-9-16(10-8-14)21-13-18(20)19-12-11-15-5-3-4-6-17(15)19/h3-10H,2,11-13H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone has a molecular weight of 281.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone is sourced from PubChem (CID 833324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).