3-hydroxy-1,1-diphenylbutan-2-one

C16H16O2 — CID 91337190

IUPAC3-hydroxy-1,1-diphenylbutan-2-one
SMILESCC(O)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2/c1-12(17)16(18)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15,17H,1H3
InChIKeyLYCNOYFIDLROMH-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.77
Rot. Bonds4

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

3-hydroxy-1,1-diphenylbutan-2-one (PubChem CID 91337190) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-hydroxy-1,1-diphenylbutan-2-one.

Molecular Properties

Compound Name3-hydroxy-1,1-diphenylbutan-2-one
PubChem CID91337190
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name3-hydroxy-1,1-diphenylbutan-2-one
SMILESCC(O)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2/c1-12(17)16(18)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15,17H,1H3
InChIKeyLYCNOYFIDLROMH-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-oxo-5,5-diphenylpentanoic acid
CID 107292902
1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one
CID 79298499
3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate
CID 141498905
2,2-diphenyl-1-trimethylsilylethanone
CID 15905987
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
(4R)-4-methyl-1,1-diphenylhexane-2,5-dione
CID 159281542
1-phenyl-1-(4-phenylphenyl)propan-2-one
CID 156769575
(1S)-1-phenylethanol
CID 157125626
(2R)-2-methyl-4-oxo-5,5-diphenylpentanamide
CID 162242633
acetic acid;cumene
CID 172767405
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718
lithium;2,2-diphenylacetic acid;hydride
CID 174648923

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,1-diphenylbutan-2-one?
The IUPAC name of 3-hydroxy-1,1-diphenylbutan-2-one (CID 91337190) is 3-hydroxy-1,1-diphenylbutan-2-one.
What is the SMILES notation for 3-hydroxy-1,1-diphenylbutan-2-one?
The canonical SMILES for 3-hydroxy-1,1-diphenylbutan-2-one is CC(O)C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-hydroxy-1,1-diphenylbutan-2-one?
The InChIKey is LYCNOYFIDLROMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12(17)16(18)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15,17H,1H3.
What are the key properties of 3-hydroxy-1,1-diphenylbutan-2-one?
3-hydroxy-1,1-diphenylbutan-2-one has a molecular weight of 240.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,1-diphenylbutan-2-one is sourced from PubChem (CID 91337190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).