2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one

C20H18O — CID 44614047

IUPAC2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one
SMILESCCC1(C2=CCc3ccccc32)Cc2ccccc2C1=O
InChIInChI=1S/C20H18O/c1-2-20(13-15-8-4-6-10-17(15)19(20)21)18-12-11-14-7-3-5-9-16(14)18/h3-10,12H,2,11,13H2,1H3
InChIKeyLHVMLJCEVMVSAW-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.46
Rot. Bonds2

About 2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one

2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one (PubChem CID 44614047) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one.

Molecular Properties

Compound Name2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one
PubChem CID44614047
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one
SMILESCCC1(C2=CCc3ccccc32)Cc2ccccc2C1=O
InChIInChI=1S/C20H18O/c1-2-20(13-15-8-4-6-10-17(15)19(20)21)18-12-11-14-7-3-5-9-16(14)18/h3-10,12H,2,11,13H2,1H3
InChIKeyLHVMLJCEVMVSAW-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one?
The IUPAC name of 2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one (CID 44614047) is 2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one.
What is the SMILES notation for 2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one?
The canonical SMILES for 2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one is CCC1(C2=CCc3ccccc32)Cc2ccccc2C1=O.
What is the InChIKey of 2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one?
The InChIKey is LHVMLJCEVMVSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-2-20(13-15-8-4-6-10-17(15)19(20)21)18-12-11-14-7-3-5-9-16(14)18/h3-10,12H,2,11,13H2,1H3.
What are the key properties of 2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one?
2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one has a molecular weight of 274.36 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one is sourced from PubChem (CID 44614047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).