2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C18H17NO4 — CID 3878142

IUPAC2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C18H17NO4/c1-12-8-13-4-2-3-5-15(13)19(12)18(20)10-21-14-6-7-16-17(9-14)23-11-22-16/h2-7,9,12H,8,10-11H2,1H3
InChIKeyLOUKYWUUWARXFD-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.77
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 3878142) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID3878142
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C18H17NO4/c1-12-8-13-4-2-3-5-15(13)19(12)18(20)10-21-14-6-7-16-17(9-14)23-11-22-16/h2-7,9,12H,8,10-11H2,1H3
InChIKeyLOUKYWUUWARXFD-UHFFFAOYSA-N
XLogP2.77
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 4533666
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527
2-(7-methoxynaphthalen-2-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7652721
2-(3-chloro-4-fluorophenoxy)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7751253
2-(4-chloro-3,5-dimethylphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 903888
2-(4-chloro-3,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 5076814
3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 2444567
3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 2444569
N-[3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 7697850
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]benzonitrile
CID 7670955
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273989

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 3878142) is 2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1Cc2ccccc2N1C(=O)COc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is LOUKYWUUWARXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-12-8-13-4-2-3-5-15(13)19(12)18(20)10-21-14-6-7-16-17(9-14)23-11-22-16/h2-7,9,12H,8,10-11H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 311.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 3878142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).