3-hydroxy-1,4-diphenylbutan-1-one

C16H16O2 — CID 11107470

IUPAC3-hydroxy-1,4-diphenylbutan-1-one
SMILESO=C(CC(O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2/c17-15(11-13-7-3-1-4-8-13)12-16(18)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2
InChIKeyACOOYQMOKLIVJM-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.86
Rot. Bonds5

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

3-hydroxy-1,4-diphenylbutan-1-one (PubChem CID 11107470) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-hydroxy-1,4-diphenylbutan-1-one.

Molecular Properties

Compound Name3-hydroxy-1,4-diphenylbutan-1-one
PubChem CID11107470
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name3-hydroxy-1,4-diphenylbutan-1-one
SMILESO=C(CC(O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2/c17-15(11-13-7-3-1-4-8-13)12-16(18)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2
InChIKeyACOOYQMOKLIVJM-UHFFFAOYSA-N
XLogP2.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,4-diphenylbutan-1-one?
The IUPAC name of 3-hydroxy-1,4-diphenylbutan-1-one (CID 11107470) is 3-hydroxy-1,4-diphenylbutan-1-one.
What is the SMILES notation for 3-hydroxy-1,4-diphenylbutan-1-one?
The canonical SMILES for 3-hydroxy-1,4-diphenylbutan-1-one is O=C(CC(O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-hydroxy-1,4-diphenylbutan-1-one?
The InChIKey is ACOOYQMOKLIVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c17-15(11-13-7-3-1-4-8-13)12-16(18)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2.
What are the key properties of 3-hydroxy-1,4-diphenylbutan-1-one?
3-hydroxy-1,4-diphenylbutan-1-one has a molecular weight of 240.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,4-diphenylbutan-1-one is sourced from PubChem (CID 11107470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).