2-[[(2S)-2-methyl-1-oxo-2,3-dihydroinden-5-yl]oxy]acetate

C12H11O4- — CID 6922959

IUPAC2-[[(2S)-2-methyl-1-oxo-2,3-dihydroinden-5-yl]oxy]acetate
SMILESC[C@H]1Cc2cc(OCC(=O)[O-])ccc2C1=O
InChIInChI=1S/C12H12O4/c1-7-4-8-5-9(16-6-11(13)14)2-3-10(8)12(7)15/h2-3,5,7H,4,6H2,1H3,(H,13,14)/p-1/t7-/m0/s1
InChIKeyJGONMPZDMUCXSF-ZETCQYMHSA-M
MW219.22 g/mol
LogP0.19
Rot. Bonds3

About 2-[[(2S)-2-methyl-1-oxo-2,3-dihydroinden-5-yl]oxy]acetate

2-[[(2S)-2-methyl-1-oxo-2,3-dihydroinden-5-yl]oxy]acetate (PubChem CID 6922959) has the molecular formula C12H11O4- and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-[[(2S)-2-methyl-1-oxo-2,3-dihydroinden-5-yl]oxy]acetate.

Molecular Properties

Compound Name2-[[(2S)-2-methyl-1-oxo-2,3-dihydroinden-5-yl]oxy]acetate
PubChem CID6922959
Molecular FormulaC12H11O4-
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name2-[[(2S)-2-methyl-1-oxo-2,3-dihydroinden-5-yl]oxy]acetate
SMILESC[C@H]1Cc2cc(OCC(=O)[O-])ccc2C1=O
InChIInChI=1S/C12H12O4/c1-7-4-8-5-9(16-6-11(13)14)2-3-10(8)12(7)15/h2-3,5,7H,4,6H2,1H3,(H,13,14)/p-1/t7-/m0/s1
InChIKeyJGONMPZDMUCXSF-ZETCQYMHSA-M
XLogP0.19
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-methyl-1-oxo-2,3-dihydroinden-5-yl]oxy]acetate?
The IUPAC name of 2-[[(2S)-2-methyl-1-oxo-2,3-dihydroinden-5-yl]oxy]acetate (CID 6922959) is 2-[[(2S)-2-methyl-1-oxo-2,3-dihydroinden-5-yl]oxy]acetate.
What is the SMILES notation for 2-[[(2S)-2-methyl-1-oxo-2,3-dihydroinden-5-yl]oxy]acetate?
The canonical SMILES for 2-[[(2S)-2-methyl-1-oxo-2,3-dihydroinden-5-yl]oxy]acetate is C[C@H]1Cc2cc(OCC(=O)[O-])ccc2C1=O.
What is the InChIKey of 2-[[(2S)-2-methyl-1-oxo-2,3-dihydroinden-5-yl]oxy]acetate?
The InChIKey is JGONMPZDMUCXSF-ZETCQYMHSA-M. The full InChI is InChI=1S/C12H12O4/c1-7-4-8-5-9(16-6-11(13)14)2-3-10(8)12(7)15/h2-3,5,7H,4,6H2,1H3,(H,13,14)/p-1/t7-/m0/s1.
What are the key properties of 2-[[(2S)-2-methyl-1-oxo-2,3-dihydroinden-5-yl]oxy]acetate?
2-[[(2S)-2-methyl-1-oxo-2,3-dihydroinden-5-yl]oxy]acetate has a molecular weight of 219.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-methyl-1-oxo-2,3-dihydroinden-5-yl]oxy]acetate is sourced from PubChem (CID 6922959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).