4-hydroxy-1,1,4,4-tetraphenylbutan-2-one

C28H24O2 — CID 597415

IUPAC4-hydroxy-1,1,4,4-tetraphenylbutan-2-one
SMILESO=C(CC(O)(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24O2/c29-26(27(22-13-5-1-6-14-22)23-15-7-2-8-16-23)21-28(30,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,27,30H,21H2
InChIKeyOOPGQWGTZIVDJB-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.71
Rot. Bonds7

About 4-hydroxy-1,1,4,4-tetraphenylbutan-2-one

4-hydroxy-1,1,4,4-tetraphenylbutan-2-one (PubChem CID 597415) has the molecular formula C28H24O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-hydroxy-1,1,4,4-tetraphenylbutan-2-one.

Molecular Properties

Compound Name4-hydroxy-1,1,4,4-tetraphenylbutan-2-one
PubChem CID597415
Molecular FormulaC28H24O2
Molecular Weight392.50 g/mol
Exact Mass392.18
IUPAC Name4-hydroxy-1,1,4,4-tetraphenylbutan-2-one
SMILESO=C(CC(O)(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24O2/c29-26(27(22-13-5-1-6-14-22)23-15-7-2-8-16-23)21-28(30,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,27,30H,21H2
InChIKeyOOPGQWGTZIVDJB-UHFFFAOYSA-N
XLogP5.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,5,5-tetraphenylpentane-2,4-dione
CID 22951899
3-hydroxy-1,1,3-triphenylbutan-2-one
CID 102141893
3-methoxy-1,1-diphenylpropan-2-one
CID 19419205
8-oxo-9,9-diphenylnonanoic acid
CID 58248727
(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
CID 13299690
(4R)-4-methyl-1,1-diphenylhexane-2,5-dione
CID 159281542
2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid
CID 175263687
5-ethyl-5-hydroxy-4-phenylheptan-3-one
CID 129196616
1,2,5,5-tetraphenylpentane-1,4-dione
CID 134096157
(2R)-2-methyl-4-oxo-5,5-diphenylpentanamide
CID 162242633
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718
2-iodo-1,1-diphenylethanol
CID 11738821

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,1,4,4-tetraphenylbutan-2-one?
The IUPAC name of 4-hydroxy-1,1,4,4-tetraphenylbutan-2-one (CID 597415) is 4-hydroxy-1,1,4,4-tetraphenylbutan-2-one.
What is the SMILES notation for 4-hydroxy-1,1,4,4-tetraphenylbutan-2-one?
The canonical SMILES for 4-hydroxy-1,1,4,4-tetraphenylbutan-2-one is O=C(CC(O)(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-hydroxy-1,1,4,4-tetraphenylbutan-2-one?
The InChIKey is OOPGQWGTZIVDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O2/c29-26(27(22-13-5-1-6-14-22)23-15-7-2-8-16-23)21-28(30,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,27,30H,21H2.
What are the key properties of 4-hydroxy-1,1,4,4-tetraphenylbutan-2-one?
4-hydroxy-1,1,4,4-tetraphenylbutan-2-one has a molecular weight of 392.50 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,1,4,4-tetraphenylbutan-2-one is sourced from PubChem (CID 597415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).