4-hydroxy-1,4-diphenylbutan-2-one

C16H16O2 — CID 12847684

IUPAC4-hydroxy-1,4-diphenylbutan-2-one
SMILESO=C(Cc1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/C16H16O2/c17-15(11-13-7-3-1-4-8-13)12-16(18)14-9-5-2-6-10-14/h1-10,16,18H,11-12H2
InChIKeyMHWPULQIWQNQML-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.92
Rot. Bonds5

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

4-hydroxy-1,4-diphenylbutan-2-one (PubChem CID 12847684) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-hydroxy-1,4-diphenylbutan-2-one.

Molecular Properties

Compound Name4-hydroxy-1,4-diphenylbutan-2-one
PubChem CID12847684
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name4-hydroxy-1,4-diphenylbutan-2-one
SMILESO=C(Cc1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/C16H16O2/c17-15(11-13-7-3-1-4-8-13)12-16(18)14-9-5-2-6-10-14/h1-10,16,18H,11-12H2
InChIKeyMHWPULQIWQNQML-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,4-diphenylbutan-2-one?
The IUPAC name of 4-hydroxy-1,4-diphenylbutan-2-one (CID 12847684) is 4-hydroxy-1,4-diphenylbutan-2-one.
What is the SMILES notation for 4-hydroxy-1,4-diphenylbutan-2-one?
The canonical SMILES for 4-hydroxy-1,4-diphenylbutan-2-one is O=C(Cc1ccccc1)CC(O)c1ccccc1.
What is the InChIKey of 4-hydroxy-1,4-diphenylbutan-2-one?
The InChIKey is MHWPULQIWQNQML-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/h1-10,16,18H,11-12H2.
What are the key properties of 4-hydroxy-1,4-diphenylbutan-2-one?
4-hydroxy-1,4-diphenylbutan-2-one has a molecular weight of 240.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,4-diphenylbutan-2-one is sourced from PubChem (CID 12847684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).