methyl 2-[(2-ethyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate

C16H20O4 — CID 54111319

IUPACmethyl 2-[(2-ethyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate
SMILESCCC1Cc2cc(OCC(=O)OC)c(C)c(C)c2C1=O
InChIInChI=1S/C16H20O4/c1-5-11-6-12-7-13(20-8-14(17)19-4)9(2)10(3)15(12)16(11)18/h7,11H,5-6,8H2,1-4H3
InChIKeyNHHMNYKACYAJOS-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.62
Rot. Bonds4

About methyl 2-[(2-ethyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate

methyl 2-[(2-ethyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate (PubChem CID 54111319) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate
PubChem CID54111319
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Namemethyl 2-[(2-ethyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate
SMILESCCC1Cc2cc(OCC(=O)OC)c(C)c(C)c2C1=O
InChIInChI=1S/C16H20O4/c1-5-11-6-12-7-13(20-8-14(17)19-4)9(2)10(3)15(12)16(11)18/h7,11H,5-6,8H2,1-4H3
InChIKeyNHHMNYKACYAJOS-UHFFFAOYSA-N
XLogP2.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2-ethyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate with MolForge

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Related Compounds

ethyl 2-[(6,7-dichloro-1-oxo-2-prop-2-enyl-2,3-dihydroinden-5-yl)oxy]acetate
CID 54410330
ethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate
CID 166125448
(2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 26763396
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
ethyl 2-(4-bromo-2,3,5-trimethylphenoxy)acetate
CID 86047360
5-tert-butyl-2-ethyl-6-methoxy-2,3-dihydroinden-1-one
CID 170070080
methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate
CID 4914970
methyl 2-[[6-(2-methoxy-2-oxoethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]acetate
CID 68659260
methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate
CID 143093079
methyl 2-(5-cyclopentyl-2-methylphenoxy)acetate
CID 165142972
methyl 2-[[(1S)-1-(4-chlorophenyl)-3-oxo-7-propan-2-yloxy-2,4-dihydro-1H-isoquinolin-6-yl]oxy]acetate
CID 71155056
methyl 2-(5-amino-2-methylphenoxy)acetate
CID 43520245

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate?
The IUPAC name of methyl 2-[(2-ethyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate (CID 54111319) is methyl 2-[(2-ethyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate.
What is the SMILES notation for methyl 2-[(2-ethyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate?
The canonical SMILES for methyl 2-[(2-ethyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate is CCC1Cc2cc(OCC(=O)OC)c(C)c(C)c2C1=O.
What is the InChIKey of methyl 2-[(2-ethyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate?
The InChIKey is NHHMNYKACYAJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-5-11-6-12-7-13(20-8-14(17)19-4)9(2)10(3)15(12)16(11)18/h7,11H,5-6,8H2,1-4H3.
What are the key properties of methyl 2-[(2-ethyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate?
methyl 2-[(2-ethyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate has a molecular weight of 276.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate is sourced from PubChem (CID 54111319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).