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

C16H16O2 — CID 12524520

IUPAC3-hydroxy-1,3-diphenylbutan-1-one
SMILESCC(O)(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2/c1-16(18,14-10-6-3-7-11-14)12-15(17)13-8-4-2-5-9-13/h2-11,18H,12H2,1H3
InChIKeyUYNBPSVTHPEZPX-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.17
Rot. Bonds4

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

3-hydroxy-1,3-diphenylbutan-1-one (PubChem CID 12524520) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-hydroxy-1,3-diphenylbutan-1-one.

Molecular Properties

Compound Name3-hydroxy-1,3-diphenylbutan-1-one
PubChem CID12524520
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name3-hydroxy-1,3-diphenylbutan-1-one
SMILESCC(O)(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2/c1-16(18,14-10-6-3-7-11-14)12-15(17)13-8-4-2-5-9-13/h2-11,18H,12H2,1H3
InChIKeyUYNBPSVTHPEZPX-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,3-diphenylbutan-1-one?
The IUPAC name of 3-hydroxy-1,3-diphenylbutan-1-one (CID 12524520) is 3-hydroxy-1,3-diphenylbutan-1-one.
What is the SMILES notation for 3-hydroxy-1,3-diphenylbutan-1-one?
The canonical SMILES for 3-hydroxy-1,3-diphenylbutan-1-one is CC(O)(CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-hydroxy-1,3-diphenylbutan-1-one?
The InChIKey is UYNBPSVTHPEZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-16(18,14-10-6-3-7-11-14)12-15(17)13-8-4-2-5-9-13/h2-11,18H,12H2,1H3.
What are the key properties of 3-hydroxy-1,3-diphenylbutan-1-one?
3-hydroxy-1,3-diphenylbutan-1-one has a molecular weight of 240.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,3-diphenylbutan-1-one is sourced from PubChem (CID 12524520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).