2-(1,2-dimethylindol-5-yl)oxyacetate

C12H12NO3- — CID 6969837

IUPAC2-(1,2-dimethylindol-5-yl)oxyacetate
SMILESCc1cc2cc(OCC(=O)[O-])ccc2n1C
InChIInChI=1S/C12H13NO3/c1-8-5-9-6-10(16-7-12(14)15)3-4-11(9)13(8)2/h3-6H,7H2,1-2H3,(H,14,15)/p-1
InChIKeyREAUDJIOJPUNBG-UHFFFAOYSA-M
MW218.23 g/mol
LogP0.62
Rot. Bonds3

About 2-(1,2-dimethylindol-5-yl)oxyacetate

2-(1,2-dimethylindol-5-yl)oxyacetate (PubChem CID 6969837) has the molecular formula C12H12NO3- and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-5-yl)oxyacetate.

Molecular Properties

Compound Name2-(1,2-dimethylindol-5-yl)oxyacetate
PubChem CID6969837
Molecular FormulaC12H12NO3-
Molecular Weight218.23 g/mol
Exact Mass218.08
IUPAC Name2-(1,2-dimethylindol-5-yl)oxyacetate
SMILESCc1cc2cc(OCC(=O)[O-])ccc2n1C
InChIInChI=1S/C12H13NO3/c1-8-5-9-6-10(16-7-12(14)15)3-4-11(9)13(8)2/h3-6H,7H2,1-2H3,(H,14,15)/p-1
InChIKeyREAUDJIOJPUNBG-UHFFFAOYSA-M
XLogP0.62
TPSA54.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,2-dimethylindol-5-yl) [4-[(1,2-dimethylindol-5-yl)oxymethyl]phenyl] sulfate
CID 167869311
lithium 2-(4-methylphenoxy)acetate
CID 19205665
methyl 5-ethoxy-1-methylindole-2-carboxylate
CID 4777688
N-[(3R,4S)-9-[2-(1,2-dimethylindol-5-yl)oxyacetyl]-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 110164224
2-(1-methylindazol-5-yl)oxyacetic acid
CID 84673968
2-quinoxalin-6-yloxyacetate
CID 3520024
2-(3-phenoxyphenoxy)acetate
CID 22411603
1,2-dimethylindol-5-amine
CID 6484710
dimethylazanium;2-(2-oxochromen-7-yl)oxyacetate
CID 139081078
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235
disodium bis(2-(4-chlorophenoxy)acetate)
CID 141454820

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-5-yl)oxyacetate?
The IUPAC name of 2-(1,2-dimethylindol-5-yl)oxyacetate (CID 6969837) is 2-(1,2-dimethylindol-5-yl)oxyacetate.
What is the SMILES notation for 2-(1,2-dimethylindol-5-yl)oxyacetate?
The canonical SMILES for 2-(1,2-dimethylindol-5-yl)oxyacetate is Cc1cc2cc(OCC(=O)[O-])ccc2n1C.
What is the InChIKey of 2-(1,2-dimethylindol-5-yl)oxyacetate?
The InChIKey is REAUDJIOJPUNBG-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H13NO3/c1-8-5-9-6-10(16-7-12(14)15)3-4-11(9)13(8)2/h3-6H,7H2,1-2H3,(H,14,15)/p-1.
What are the key properties of 2-(1,2-dimethylindol-5-yl)oxyacetate?
2-(1,2-dimethylindol-5-yl)oxyacetate has a molecular weight of 218.23 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-5-yl)oxyacetate is sourced from PubChem (CID 6969837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).