2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone

C17H13NO4 — CID 2989682

IUPAC2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone
SMILESO=C(COc1ccc2c(c1)OCO2)c1c[nH]c2ccccc12
InChIInChI=1S/C17H13NO4/c19-15(13-8-18-14-4-2-1-3-12(13)14)9-20-11-5-6-16-17(7-11)22-10-21-16/h1-8,18H,9-10H2
InChIKeyWRIZJPLTCGFMSL-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.16
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone

2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone (PubChem CID 2989682) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone
PubChem CID2989682
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone
SMILESO=C(COc1ccc2c(c1)OCO2)c1c[nH]c2ccccc12
InChIInChI=1S/C17H13NO4/c19-15(13-8-18-14-4-2-1-3-12(13)14)9-20-11-5-6-16-17(7-11)22-10-21-16/h1-8,18H,9-10H2
InChIKeyWRIZJPLTCGFMSL-UHFFFAOYSA-N
XLogP3.16
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1H-indol-3-yl)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 4856746
1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone
CID 3534156
1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone
CID 43161266
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(1H-indol-3-yl)ethanone
CID 7372799
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110397351
[2-(1H-indol-3-yl)-2-oxoethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylbenzoate
CID 16507363
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(1H-indol-3-yl)ethanone
CID 2606708
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(1H-indol-3-yl)ethanone
CID 110655309
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694694
2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone
CID 38114433
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110995524
2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 126418545

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone (CID 2989682) is 2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone is O=C(COc1ccc2c(c1)OCO2)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone?
The InChIKey is WRIZJPLTCGFMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c19-15(13-8-18-14-4-2-1-3-12(13)14)9-20-11-5-6-16-17(7-11)22-10-21-16/h1-8,18H,9-10H2.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone?
2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone has a molecular weight of 295.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 2989682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).