4-hydroxy-1,3,4,4-tetraphenylbutan-1-one

C28H24O2 — CID 91703942

IUPAC4-hydroxy-1,3,4,4-tetraphenylbutan-1-one
SMILESO=C(CC(c1ccccc1)C(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24O2/c29-27(23-15-7-2-8-16-23)21-26(22-13-5-1-6-14-22)28(30,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26,30H,21H2
InChIKeyLTKFKEMORUFUBC-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.98
Rot. Bonds7

About 4-hydroxy-1,3,4,4-tetraphenylbutan-1-one

4-hydroxy-1,3,4,4-tetraphenylbutan-1-one (PubChem CID 91703942) has the molecular formula C28H24O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-hydroxy-1,3,4,4-tetraphenylbutan-1-one.

Molecular Properties

Compound Name4-hydroxy-1,3,4,4-tetraphenylbutan-1-one
PubChem CID91703942
Molecular FormulaC28H24O2
Molecular Weight392.50 g/mol
Exact Mass392.18
IUPAC Name4-hydroxy-1,3,4,4-tetraphenylbutan-1-one
SMILESO=C(CC(c1ccccc1)C(O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24O2/c29-27(23-15-7-2-8-16-23)21-26(22-13-5-1-6-14-22)28(30,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26,30H,21H2
InChIKeyLTKFKEMORUFUBC-UHFFFAOYSA-N
XLogP5.98
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 ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-bis(methylselanyl)-1,3-diphenylpentan-1-one
CID 13053440
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
(3R)-1,3-diphenylpentan-1-one
CID 11042799
1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol
CID 15527869
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
2-(3-oxo-1,3-diphenylpropyl)-2-prop-2-enylpropanedinitrile
CID 102400621
(1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol
CID 139051380
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 71421950
4-methyl-4-nitro-1,3,5-triphenylpentan-1-one
CID 13227157
2-bromo-1,3,5-triphenylpentane-1,5-dione
CID 13250146
(2S)-4-oxo-2,4-diphenylbutanoate
CID 6950858

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3,4,4-tetraphenylbutan-1-one?
The IUPAC name of 4-hydroxy-1,3,4,4-tetraphenylbutan-1-one (CID 91703942) is 4-hydroxy-1,3,4,4-tetraphenylbutan-1-one.
What is the SMILES notation for 4-hydroxy-1,3,4,4-tetraphenylbutan-1-one?
The canonical SMILES for 4-hydroxy-1,3,4,4-tetraphenylbutan-1-one is O=C(CC(c1ccccc1)C(O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 4-hydroxy-1,3,4,4-tetraphenylbutan-1-one?
The InChIKey is LTKFKEMORUFUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O2/c29-27(23-15-7-2-8-16-23)21-26(22-13-5-1-6-14-22)28(30,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26,30H,21H2.
What are the key properties of 4-hydroxy-1,3,4,4-tetraphenylbutan-1-one?
4-hydroxy-1,3,4,4-tetraphenylbutan-1-one has a molecular weight of 392.50 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3,4,4-tetraphenylbutan-1-one is sourced from PubChem (CID 91703942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).