2-(3H-inden-1-yl)-2,3-dihydroinden-1-one

C18H14O — CID 44721009

IUPAC2-(3H-inden-1-yl)-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1C1=CCc2ccccc21
InChIInChI=1S/C18H14O/c19-18-15-8-4-2-6-13(15)11-17(18)16-10-9-12-5-1-3-7-14(12)16/h1-8,10,17H,9,11H2
InChIKeyNBCKTBCICOTSLJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.68
Rot. Bonds1

About 2-(3H-inden-1-yl)-2,3-dihydroinden-1-one

2-(3H-inden-1-yl)-2,3-dihydroinden-1-one (PubChem CID 44721009) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(3H-inden-1-yl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(3H-inden-1-yl)-2,3-dihydroinden-1-one
PubChem CID44721009
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name2-(3H-inden-1-yl)-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1C1=CCc2ccccc21
InChIInChI=1S/C18H14O/c19-18-15-8-4-2-6-13(15)11-17(18)16-10-9-12-5-1-3-7-14(12)16/h1-8,10,17H,9,11H2
InChIKeyNBCKTBCICOTSLJ-UHFFFAOYSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-inden-1-yl)-2,3-dihydroinden-1-one?
The IUPAC name of 2-(3H-inden-1-yl)-2,3-dihydroinden-1-one (CID 44721009) is 2-(3H-inden-1-yl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(3H-inden-1-yl)-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(3H-inden-1-yl)-2,3-dihydroinden-1-one is O=C1c2ccccc2CC1C1=CCc2ccccc21.
What is the InChIKey of 2-(3H-inden-1-yl)-2,3-dihydroinden-1-one?
The InChIKey is NBCKTBCICOTSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c19-18-15-8-4-2-6-13(15)11-17(18)16-10-9-12-5-1-3-7-14(12)16/h1-8,10,17H,9,11H2.
What are the key properties of 2-(3H-inden-1-yl)-2,3-dihydroinden-1-one?
2-(3H-inden-1-yl)-2,3-dihydroinden-1-one has a molecular weight of 246.31 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-inden-1-yl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 44721009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).