2-[(3-oxo-1,2-dihydroinden-4-yl)oxy]ethyl acetate

C13H14O4 — CID 58241968

IUPAC2-[(3-oxo-1,2-dihydroinden-4-yl)oxy]ethyl acetate
SMILESCC(=O)OCCOc1cccc2c1C(=O)CC2
InChIInChI=1S/C13H14O4/c1-9(14)16-7-8-17-12-4-2-3-10-5-6-11(15)13(10)12/h2-4H,5-8H2,1H3
InChIKeyVGUYKERGQWGYIW-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.76
Rot. Bonds4

About 2-[(3-oxo-1,2-dihydroinden-4-yl)oxy]ethyl acetate

2-[(3-oxo-1,2-dihydroinden-4-yl)oxy]ethyl acetate (PubChem CID 58241968) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[(3-oxo-1,2-dihydroinden-4-yl)oxy]ethyl acetate.

Molecular Properties

Compound Name2-[(3-oxo-1,2-dihydroinden-4-yl)oxy]ethyl acetate
PubChem CID58241968
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name2-[(3-oxo-1,2-dihydroinden-4-yl)oxy]ethyl acetate
SMILESCC(=O)OCCOc1cccc2c1C(=O)CC2
InChIInChI=1S/C13H14O4/c1-9(14)16-7-8-17-12-4-2-3-10-5-6-11(15)13(10)12/h2-4H,5-8H2,1H3
InChIKeyVGUYKERGQWGYIW-UHFFFAOYSA-N
XLogP1.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
CID 6421422
2-[(3-oxo-1,2-dihydroinden-4-yl)oxymethyl]prop-2-enoic acid
CID 167837079
(8-oxo-6,7-dihydro-5H-naphthalen-1-yl) acetate
CID 15503046
2-naphthalen-1-yloxyethyl acetate
CID 23049663
2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate
CID 171068203
2-[2-(2-iodoethenyl)phenoxy]ethyl acetate
CID 54286183
7-dihydroxyphosphinothioyloxy-2,3-dihydroinden-1-one
CID 20545951
4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
CID 60705268
7-(3-methyloxiran-2-yl)oxy-2,3-dihydroinden-1-one
CID 88755858
2-[(2-sulfanylidene-4,5-dihydro-1H-benzo[e][1,3]benzothiazol-6-yl)oxy]ethyl acetate
CID 70271001
4-(2,3-dimethylphenoxy)butyl acetate
CID 69169507
dihexyl (3-oxo-1,2-dihydroinden-4-yl) phosphate
CID 20545976

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-1,2-dihydroinden-4-yl)oxy]ethyl acetate?
The IUPAC name of 2-[(3-oxo-1,2-dihydroinden-4-yl)oxy]ethyl acetate (CID 58241968) is 2-[(3-oxo-1,2-dihydroinden-4-yl)oxy]ethyl acetate.
What is the SMILES notation for 2-[(3-oxo-1,2-dihydroinden-4-yl)oxy]ethyl acetate?
The canonical SMILES for 2-[(3-oxo-1,2-dihydroinden-4-yl)oxy]ethyl acetate is CC(=O)OCCOc1cccc2c1C(=O)CC2.
What is the InChIKey of 2-[(3-oxo-1,2-dihydroinden-4-yl)oxy]ethyl acetate?
The InChIKey is VGUYKERGQWGYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-9(14)16-7-8-17-12-4-2-3-10-5-6-11(15)13(10)12/h2-4H,5-8H2,1H3.
What are the key properties of 2-[(3-oxo-1,2-dihydroinden-4-yl)oxy]ethyl acetate?
2-[(3-oxo-1,2-dihydroinden-4-yl)oxy]ethyl acetate has a molecular weight of 234.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-1,2-dihydroinden-4-yl)oxy]ethyl acetate is sourced from PubChem (CID 58241968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).