(2R)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-2,3-dihydroinden-1-one

C24H20O — CID 102033544

IUPAC(2R)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2C[C@@H]1[C@H](/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20O/c25-24-22-14-8-7-13-20(22)17-23(24)21(19-11-5-2-6-12-19)16-15-18-9-3-1-4-10-18/h1-16,21,23H,17H2/b16-15+/t21-,23-/m1/s1
InChIKeyMLCPLZUJRJCFEF-AWZKISCTSA-N
MW324.42 g/mol
LogP5.54
Rot. Bonds4

About (2R)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-2,3-dihydroinden-1-one

(2R)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-2,3-dihydroinden-1-one (PubChem CID 102033544) has the molecular formula C24H20O and a molecular weight of 324.42 g/mol. Its IUPAC name is (2R)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2R)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-2,3-dihydroinden-1-one
PubChem CID102033544
Molecular FormulaC24H20O
Molecular Weight324.42 g/mol
Exact Mass324.15
IUPAC Name(2R)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2C[C@@H]1[C@H](/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20O/c25-24-22-14-8-7-13-20(22)17-23(24)21(19-11-5-2-6-12-19)16-15-18-9-3-1-4-10-18/h1-16,21,23H,17H2/b16-15+/t21-,23-/m1/s1
InChIKeyMLCPLZUJRJCFEF-AWZKISCTSA-N
XLogP5.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-2,3-dihydroinden-1-one?
The IUPAC name of (2R)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-2,3-dihydroinden-1-one (CID 102033544) is (2R)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for (2R)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-2,3-dihydroinden-1-one?
The canonical SMILES for (2R)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-2,3-dihydroinden-1-one is O=C1c2ccccc2C[C@@H]1[C@H](/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-2,3-dihydroinden-1-one?
The InChIKey is MLCPLZUJRJCFEF-AWZKISCTSA-N. The full InChI is InChI=1S/C24H20O/c25-24-22-14-8-7-13-20(22)17-23(24)21(19-11-5-2-6-12-19)16-15-18-9-3-1-4-10-18/h1-16,21,23H,17H2/b16-15+/t21-,23-/m1/s1.
What are the key properties of (2R)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-2,3-dihydroinden-1-one?
(2R)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-2,3-dihydroinden-1-one has a molecular weight of 324.42 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 102033544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).