5-hydroxy-4-phenylpentan-2-one

C11H14O2 — CID 13333720

IUPAC5-hydroxy-4-phenylpentan-2-one
SMILESCC(=O)CC(CO)c1ccccc1
InChIInChI=1S/C11H14O2/c1-9(13)7-11(8-12)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3
InChIKeyOMXGHSWNCSJTHU-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.74
Rot. Bonds4

About 5-hydroxy-4-phenylpentan-2-one

5-hydroxy-4-phenylpentan-2-one (PubChem CID 13333720) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-hydroxy-4-phenylpentan-2-one.

Molecular Properties

Compound Name5-hydroxy-4-phenylpentan-2-one
PubChem CID13333720
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name5-hydroxy-4-phenylpentan-2-one
SMILESCC(=O)CC(CO)c1ccccc1
InChIInChI=1S/C11H14O2/c1-9(13)7-11(8-12)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3
InChIKeyOMXGHSWNCSJTHU-UHFFFAOYSA-N
XLogP1.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-phenylpentan-2-one?
The IUPAC name of 5-hydroxy-4-phenylpentan-2-one (CID 13333720) is 5-hydroxy-4-phenylpentan-2-one.
What is the SMILES notation for 5-hydroxy-4-phenylpentan-2-one?
The canonical SMILES for 5-hydroxy-4-phenylpentan-2-one is CC(=O)CC(CO)c1ccccc1.
What is the InChIKey of 5-hydroxy-4-phenylpentan-2-one?
The InChIKey is OMXGHSWNCSJTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-9(13)7-11(8-12)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3.
What are the key properties of 5-hydroxy-4-phenylpentan-2-one?
5-hydroxy-4-phenylpentan-2-one has a molecular weight of 178.23 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-phenylpentan-2-one is sourced from PubChem (CID 13333720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).