3-hydroxy-1,1,3-triphenylbutan-2-one

C22H20O2 — CID 102141893

IUPAC3-hydroxy-1,1,3-triphenylbutan-2-one
SMILESCC(O)(C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O2/c1-22(24,19-15-9-4-10-16-19)21(23)20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,20,24H,1H3
InChIKeyMUACCBWAWBMDJG-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.30
Rot. Bonds5

About 3-hydroxy-1,1,3-triphenylbutan-2-one

3-hydroxy-1,1,3-triphenylbutan-2-one (PubChem CID 102141893) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-hydroxy-1,1,3-triphenylbutan-2-one.

Molecular Properties

Compound Name3-hydroxy-1,1,3-triphenylbutan-2-one
PubChem CID102141893
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name3-hydroxy-1,1,3-triphenylbutan-2-one
SMILESCC(O)(C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O2/c1-22(24,19-15-9-4-10-16-19)21(23)20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,20,24H,1H3
InChIKeyMUACCBWAWBMDJG-UHFFFAOYSA-N
XLogP4.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 736858
4-hydroxy-2-methyl-3-oxo-4-phenylpentanal
CID 175067613
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CID 22438373
(2S)-2-hydroxy-2-phenylpropanoate
CID 6932633
(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one
CID 13275946
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
2-hydroxy-N,N-dimethyl-2-phenylpropanamide
CID 121216825
4-hydroxy-1,1,4,4-tetraphenylbutan-2-one
CID 597415
(2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-2-hydroxy-2-phenylpropanamide
CID 58533163
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
2,2-diphenyl-N-(1-phenylethyl)propanamide
CID 2939416
(2R)-3-hydroxy-3-methyl-2-phenylbutanoic acid
CID 10559714

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,1,3-triphenylbutan-2-one?
The IUPAC name of 3-hydroxy-1,1,3-triphenylbutan-2-one (CID 102141893) is 3-hydroxy-1,1,3-triphenylbutan-2-one.
What is the SMILES notation for 3-hydroxy-1,1,3-triphenylbutan-2-one?
The canonical SMILES for 3-hydroxy-1,1,3-triphenylbutan-2-one is CC(O)(C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-hydroxy-1,1,3-triphenylbutan-2-one?
The InChIKey is MUACCBWAWBMDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-22(24,19-15-9-4-10-16-19)21(23)20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,20,24H,1H3.
What are the key properties of 3-hydroxy-1,1,3-triphenylbutan-2-one?
3-hydroxy-1,1,3-triphenylbutan-2-one has a molecular weight of 316.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,1,3-triphenylbutan-2-one is sourced from PubChem (CID 102141893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).