3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one

C18H14O2 — CID 20693098

IUPAC3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one
SMILESO=C1CC(C2C(=O)Cc3ccccc32)c2ccccc21
InChIInChI=1S/C18H14O2/c19-16-10-15(13-7-3-4-8-14(13)16)18-12-6-2-1-5-11(12)9-17(18)20/h1-8,15,18H,9-10H2
InChIKeyJPJUOCHNNJWTLO-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.27
Rot. Bonds1

About 3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one

3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one (PubChem CID 20693098) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one
PubChem CID20693098
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one
SMILESO=C1CC(C2C(=O)Cc3ccccc32)c2ccccc21
InChIInChI=1S/C18H14O2/c19-16-10-15(13-7-3-4-8-14(13)16)18-12-6-2-1-5-11(12)9-17(18)20/h1-8,15,18H,9-10H2
InChIKeyJPJUOCHNNJWTLO-UHFFFAOYSA-N
XLogP3.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one?
The IUPAC name of 3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one (CID 20693098) is 3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one?
The canonical SMILES for 3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one is O=C1CC(C2C(=O)Cc3ccccc32)c2ccccc21.
What is the InChIKey of 3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one?
The InChIKey is JPJUOCHNNJWTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c19-16-10-15(13-7-3-4-8-14(13)16)18-12-6-2-1-5-11(12)9-17(18)20/h1-8,15,18H,9-10H2.
What are the key properties of 3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one?
3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one has a molecular weight of 262.31 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-dihydroinden-1-yl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 20693098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).