4,7-diethoxy-2,3-dihydroinden-1-one

C13H16O3 — CID 10262901

IUPAC4,7-diethoxy-2,3-dihydroinden-1-one
SMILESCCOc1ccc(OCC)c2c1CCC2=O
InChIInChI=1S/C13H16O3/c1-3-15-11-7-8-12(16-4-2)13-9(11)5-6-10(13)14/h7-8H,3-6H2,1-2H3
InChIKeyPIDGSRXEVPLIOE-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.61
Rot. Bonds4

About 4,7-diethoxy-2,3-dihydroinden-1-one

4,7-diethoxy-2,3-dihydroinden-1-one (PubChem CID 10262901) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4,7-diethoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4,7-diethoxy-2,3-dihydroinden-1-one
PubChem CID10262901
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name4,7-diethoxy-2,3-dihydroinden-1-one
SMILESCCOc1ccc(OCC)c2c1CCC2=O
InChIInChI=1S/C13H16O3/c1-3-15-11-7-8-12(16-4-2)13-9(11)5-6-10(13)14/h7-8H,3-6H2,1-2H3
InChIKeyPIDGSRXEVPLIOE-UHFFFAOYSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-diethoxy-2,3-dihydroinden-1-one?
The IUPAC name of 4,7-diethoxy-2,3-dihydroinden-1-one (CID 10262901) is 4,7-diethoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 4,7-diethoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 4,7-diethoxy-2,3-dihydroinden-1-one is CCOc1ccc(OCC)c2c1CCC2=O.
What is the InChIKey of 4,7-diethoxy-2,3-dihydroinden-1-one?
The InChIKey is PIDGSRXEVPLIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-15-11-7-8-12(16-4-2)13-9(11)5-6-10(13)14/h7-8H,3-6H2,1-2H3.
What are the key properties of 4,7-diethoxy-2,3-dihydroinden-1-one?
4,7-diethoxy-2,3-dihydroinden-1-one has a molecular weight of 220.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diethoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 10262901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).