3-benzyl-3-(1H-inden-1-yl)-4-phenylbutan-2-one

C26H24O — CID 141128786

IUPAC3-benzyl-3-(1H-inden-1-yl)-4-phenylbutan-2-one
SMILESCC(=O)C(Cc1ccccc1)(Cc1ccccc1)C1C=Cc2ccccc21
InChIInChI=1S/C26H24O/c1-20(27)26(18-21-10-4-2-5-11-21,19-22-12-6-3-7-13-22)25-17-16-23-14-8-9-15-24(23)25/h2-17,25H,18-19H2,1H3
InChIKeyOOWPRGQESZNWJJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.86
Rot. Bonds6

About 3-benzyl-3-(1H-inden-1-yl)-4-phenylbutan-2-one

3-benzyl-3-(1H-inden-1-yl)-4-phenylbutan-2-one (PubChem CID 141128786) has the molecular formula C26H24O and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-benzyl-3-(1H-inden-1-yl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name3-benzyl-3-(1H-inden-1-yl)-4-phenylbutan-2-one
PubChem CID141128786
Molecular FormulaC26H24O
Molecular Weight352.48 g/mol
Exact Mass352.18
IUPAC Name3-benzyl-3-(1H-inden-1-yl)-4-phenylbutan-2-one
SMILESCC(=O)C(Cc1ccccc1)(Cc1ccccc1)C1C=Cc2ccccc21
InChIInChI=1S/C26H24O/c1-20(27)26(18-21-10-4-2-5-11-21,19-22-12-6-3-7-13-22)25-17-16-23-14-8-9-15-24(23)25/h2-17,25H,18-19H2,1H3
InChIKeyOOWPRGQESZNWJJ-UHFFFAOYSA-N
XLogP5.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2,2-bis(1H-inden-1-yl)propanoate
CID 151600853
3,3-dibromo-4-phenylbutan-2-one
CID 20690158
2,2-bis(1H-inden-1-yl)propane-1,3-dithiol
CID 151956943
N'-[(1S)-1H-inden-1-yl]-2-phenylacetohydrazide
CID 69189039
acetic acid;ethyl 1H-indene-1-carboxylate
CID 174482190
3,3-bis(1H-inden-1-yl)pentan-1-ol;zirconium;dihydrochloride
CID 173219761
3-benzyl-3-methoxy-4-phenylbutan-2-one
CID 150312877
3-(1H-inden-1-yl)-2-methylprop-2-enoic acid
CID 67527584
1-(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)-1H-indene
CID 139709796
2-benzyl-2-fluoro-3-oxobutanoic acid
CID 146169302
4-hydroxy-4-methyl-5-phenylpentan-2-one
CID 121010182
1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene
CID 59397611

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-(1H-inden-1-yl)-4-phenylbutan-2-one?
The IUPAC name of 3-benzyl-3-(1H-inden-1-yl)-4-phenylbutan-2-one (CID 141128786) is 3-benzyl-3-(1H-inden-1-yl)-4-phenylbutan-2-one.
What is the SMILES notation for 3-benzyl-3-(1H-inden-1-yl)-4-phenylbutan-2-one?
The canonical SMILES for 3-benzyl-3-(1H-inden-1-yl)-4-phenylbutan-2-one is CC(=O)C(Cc1ccccc1)(Cc1ccccc1)C1C=Cc2ccccc21.
What is the InChIKey of 3-benzyl-3-(1H-inden-1-yl)-4-phenylbutan-2-one?
The InChIKey is OOWPRGQESZNWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O/c1-20(27)26(18-21-10-4-2-5-11-21,19-22-12-6-3-7-13-22)25-17-16-23-14-8-9-15-24(23)25/h2-17,25H,18-19H2,1H3.
What are the key properties of 3-benzyl-3-(1H-inden-1-yl)-4-phenylbutan-2-one?
3-benzyl-3-(1H-inden-1-yl)-4-phenylbutan-2-one has a molecular weight of 352.48 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-(1H-inden-1-yl)-4-phenylbutan-2-one is sourced from PubChem (CID 141128786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).