(2S)-2-benzyl-2-(1H-inden-2-yl)-3H-inden-1-one

C25H20O — CID 90065912

IUPAC(2S)-2-benzyl-2-(1H-inden-2-yl)-3H-inden-1-one
SMILESO=C1c2ccccc2C[C@@]1(Cc1ccccc1)C1=Cc2ccccc2C1
InChIInChI=1S/C25H20O/c26-24-23-13-7-6-12-21(23)17-25(24,16-18-8-2-1-3-9-18)22-14-19-10-4-5-11-20(19)15-22/h1-14H,15-17H2/t25-/m0/s1
InChIKeyRUJBWLHQMKPUKJ-VWLOTQADSA-N
MW336.43 g/mol
LogP5.29
Rot. Bonds3

About (2S)-2-benzyl-2-(1H-inden-2-yl)-3H-inden-1-one

(2S)-2-benzyl-2-(1H-inden-2-yl)-3H-inden-1-one (PubChem CID 90065912) has the molecular formula C25H20O and a molecular weight of 336.43 g/mol. Its IUPAC name is (2S)-2-benzyl-2-(1H-inden-2-yl)-3H-inden-1-one.

Molecular Properties

Compound Name(2S)-2-benzyl-2-(1H-inden-2-yl)-3H-inden-1-one
PubChem CID90065912
Molecular FormulaC25H20O
Molecular Weight336.43 g/mol
Exact Mass336.15
IUPAC Name(2S)-2-benzyl-2-(1H-inden-2-yl)-3H-inden-1-one
SMILESO=C1c2ccccc2C[C@@]1(Cc1ccccc1)C1=Cc2ccccc2C1
InChIInChI=1S/C25H20O/c26-24-23-13-7-6-12-21(23)17-25(24,16-18-8-2-1-3-9-18)22-14-19-10-4-5-11-20(19)15-22/h1-14H,15-17H2/t25-/m0/s1
InChIKeyRUJBWLHQMKPUKJ-VWLOTQADSA-N
XLogP5.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-2-(1H-inden-2-yl)-3H-inden-1-one?
The IUPAC name of (2S)-2-benzyl-2-(1H-inden-2-yl)-3H-inden-1-one (CID 90065912) is (2S)-2-benzyl-2-(1H-inden-2-yl)-3H-inden-1-one.
What is the SMILES notation for (2S)-2-benzyl-2-(1H-inden-2-yl)-3H-inden-1-one?
The canonical SMILES for (2S)-2-benzyl-2-(1H-inden-2-yl)-3H-inden-1-one is O=C1c2ccccc2C[C@@]1(Cc1ccccc1)C1=Cc2ccccc2C1.
What is the InChIKey of (2S)-2-benzyl-2-(1H-inden-2-yl)-3H-inden-1-one?
The InChIKey is RUJBWLHQMKPUKJ-VWLOTQADSA-N. The full InChI is InChI=1S/C25H20O/c26-24-23-13-7-6-12-21(23)17-25(24,16-18-8-2-1-3-9-18)22-14-19-10-4-5-11-20(19)15-22/h1-14H,15-17H2/t25-/m0/s1.
What are the key properties of (2S)-2-benzyl-2-(1H-inden-2-yl)-3H-inden-1-one?
(2S)-2-benzyl-2-(1H-inden-2-yl)-3H-inden-1-one has a molecular weight of 336.43 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-2-(1H-inden-2-yl)-3H-inden-1-one is sourced from PubChem (CID 90065912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).