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

C21H20O — CID 20693123

IUPAC2-(3H-inden-1-yl)-2-propyl-3H-inden-1-one
SMILESCCCC1(C2=CCc3ccccc32)Cc2ccccc2C1=O
InChIInChI=1S/C21H20O/c1-2-13-21(14-16-8-4-6-10-18(16)20(21)22)19-12-11-15-7-3-5-9-17(15)19/h3-10,12H,2,11,13-14H2,1H3
InChIKeyCNXXWBOFFJQOKR-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.85
Rot. Bonds3

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

2-(3H-inden-1-yl)-2-propyl-3H-inden-1-one (PubChem CID 20693123) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(3H-inden-1-yl)-2-propyl-3H-inden-1-one.

Molecular Properties

Compound Name2-(3H-inden-1-yl)-2-propyl-3H-inden-1-one
PubChem CID20693123
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name2-(3H-inden-1-yl)-2-propyl-3H-inden-1-one
SMILESCCCC1(C2=CCc3ccccc32)Cc2ccccc2C1=O
InChIInChI=1S/C21H20O/c1-2-13-21(14-16-8-4-6-10-18(16)20(21)22)19-12-11-15-7-3-5-9-17(15)19/h3-10,12H,2,11,13-14H2,1H3
InChIKeyCNXXWBOFFJQOKR-UHFFFAOYSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.85
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-propyl-3H-inden-1-one?
The IUPAC name of 2-(3H-inden-1-yl)-2-propyl-3H-inden-1-one (CID 20693123) is 2-(3H-inden-1-yl)-2-propyl-3H-inden-1-one.
What is the SMILES notation for 2-(3H-inden-1-yl)-2-propyl-3H-inden-1-one?
The canonical SMILES for 2-(3H-inden-1-yl)-2-propyl-3H-inden-1-one is CCCC1(C2=CCc3ccccc32)Cc2ccccc2C1=O.
What is the InChIKey of 2-(3H-inden-1-yl)-2-propyl-3H-inden-1-one?
The InChIKey is CNXXWBOFFJQOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O/c1-2-13-21(14-16-8-4-6-10-18(16)20(21)22)19-12-11-15-7-3-5-9-17(15)19/h3-10,12H,2,11,13-14H2,1H3.
What are the key properties of 2-(3H-inden-1-yl)-2-propyl-3H-inden-1-one?
2-(3H-inden-1-yl)-2-propyl-3H-inden-1-one has a molecular weight of 288.39 g/mol, XLogP of 4.85, 3 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-propyl-3H-inden-1-one is sourced from PubChem (CID 20693123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).