(5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate

C13H14O3 — CID 66584298

IUPAC(5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate
SMILESCC(=O)OC1CCc2cc(C(C)=O)ccc21
InChIInChI=1S/C13H14O3/c1-8(14)10-3-5-12-11(7-10)4-6-13(12)16-9(2)15/h3,5,7,13H,4,6H2,1-2H3
InChIKeyOWJFCIWVCJZVGY-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.44
Rot. Bonds2

About (5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate

(5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate (PubChem CID 66584298) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate.

Molecular Properties

Compound Name(5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate
PubChem CID66584298
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate
SMILESCC(=O)OC1CCc2cc(C(C)=O)ccc21
InChIInChI=1S/C13H14O3/c1-8(14)10-3-5-12-11(7-10)4-6-13(12)16-9(2)15/h3,5,7,13H,4,6H2,1-2H3
InChIKeyOWJFCIWVCJZVGY-UHFFFAOYSA-N
XLogP2.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate?
The IUPAC name of (5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate (CID 66584298) is (5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate.
What is the SMILES notation for (5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate?
The canonical SMILES for (5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate is CC(=O)OC1CCc2cc(C(C)=O)ccc21.
What is the InChIKey of (5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate?
The InChIKey is OWJFCIWVCJZVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-8(14)10-3-5-12-11(7-10)4-6-13(12)16-9(2)15/h3,5,7,13H,4,6H2,1-2H3.
What are the key properties of (5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate?
(5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate has a molecular weight of 218.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2,3-dihydro-1H-inden-1-yl) acetate is sourced from PubChem (CID 66584298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).