2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid

C18H19NO3 — CID 20991558

IUPAC2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid
SMILESCC1Cc2ccccc2N1CCOc1ccccc1C(=O)O
InChIInChI=1S/C18H19NO3/c1-13-12-14-6-2-4-8-16(14)19(13)10-11-22-17-9-5-3-7-15(17)18(20)21/h2-9,13H,10-12H2,1H3,(H,20,21)
InChIKeyRMVHIAXCECZTOP-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.21
Rot. Bonds5

About 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid

2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid (PubChem CID 20991558) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid
PubChem CID20991558
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid
SMILESCC1Cc2ccccc2N1CCOc1ccccc1C(=O)O
InChIInChI=1S/C18H19NO3/c1-13-12-14-6-2-4-8-16(14)19(13)10-11-22-17-9-5-3-7-15(17)18(20)21/h2-9,13H,10-12H2,1H3,(H,20,21)
InChIKeyRMVHIAXCECZTOP-UHFFFAOYSA-N
XLogP3.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931
3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
CID 62613248
2-[3-(2,6-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 22682087
2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 63608700
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
2-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]benzoic acid
CID 43532589
3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline
CID 43365585
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429
2-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propoxy]benzoic acid
CID 26582010
2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid
CID 160947916
2-[2-(2-methylthiomorpholin-4-yl)ethoxy]benzoic acid
CID 113498440
2-[3-[methyl-(1-methylpiperidin-4-yl)amino]propoxy]benzoic acid
CID 22683833

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid (CID 20991558) is 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid is CC1Cc2ccccc2N1CCOc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid?
The InChIKey is RMVHIAXCECZTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-12-14-6-2-4-8-16(14)19(13)10-11-22-17-9-5-3-7-15(17)18(20)21/h2-9,13H,10-12H2,1H3,(H,20,21).
What are the key properties of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid?
2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid has a molecular weight of 297.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 20991558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).