(2-acetyloxy-1,5-dimethyl-3-oxoinden-4-yl) acetate

C15H14O5 — CID 54244188

IUPAC(2-acetyloxy-1,5-dimethyl-3-oxoinden-4-yl) acetate
SMILESCC(=O)OC1=C(C)c2ccc(C)c(OC(C)=O)c2C1=O
InChIInChI=1S/C15H14O5/c1-7-5-6-11-8(2)15(20-10(4)17)13(18)12(11)14(7)19-9(3)16/h5-6H,1-4H3
InChIKeyQSBVOLZNCAFMNZ-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.41
Rot. Bonds2

About (2-acetyloxy-1,5-dimethyl-3-oxoinden-4-yl) acetate

(2-acetyloxy-1,5-dimethyl-3-oxoinden-4-yl) acetate (PubChem CID 54244188) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is (2-acetyloxy-1,5-dimethyl-3-oxoinden-4-yl) acetate.

Molecular Properties

Compound Name(2-acetyloxy-1,5-dimethyl-3-oxoinden-4-yl) acetate
PubChem CID54244188
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name(2-acetyloxy-1,5-dimethyl-3-oxoinden-4-yl) acetate
SMILESCC(=O)OC1=C(C)c2ccc(C)c(OC(C)=O)c2C1=O
InChIInChI=1S/C15H14O5/c1-7-5-6-11-8(2)15(20-10(4)17)13(18)12(11)14(7)19-9(3)16/h5-6H,1-4H3
InChIKeyQSBVOLZNCAFMNZ-UHFFFAOYSA-N
XLogP2.41
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-acetyloxy-1,5-dimethyl-3-oxoinden-4-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-1,5-dimethyl-3-oxoinden-4-yl) acetate?
The IUPAC name of (2-acetyloxy-1,5-dimethyl-3-oxoinden-4-yl) acetate (CID 54244188) is (2-acetyloxy-1,5-dimethyl-3-oxoinden-4-yl) acetate.
What is the SMILES notation for (2-acetyloxy-1,5-dimethyl-3-oxoinden-4-yl) acetate?
The canonical SMILES for (2-acetyloxy-1,5-dimethyl-3-oxoinden-4-yl) acetate is CC(=O)OC1=C(C)c2ccc(C)c(OC(C)=O)c2C1=O.
What is the InChIKey of (2-acetyloxy-1,5-dimethyl-3-oxoinden-4-yl) acetate?
The InChIKey is QSBVOLZNCAFMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-7-5-6-11-8(2)15(20-10(4)17)13(18)12(11)14(7)19-9(3)16/h5-6H,1-4H3.
What are the key properties of (2-acetyloxy-1,5-dimethyl-3-oxoinden-4-yl) acetate?
(2-acetyloxy-1,5-dimethyl-3-oxoinden-4-yl) acetate has a molecular weight of 274.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-1,5-dimethyl-3-oxoinden-4-yl) acetate is sourced from PubChem (CID 54244188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).