1-hydroxy-5-phenylpentan-3-one

C11H14O2 — CID 15316212

IUPAC1-hydroxy-5-phenylpentan-3-one
SMILESO=C(CCO)CCc1ccccc1
InChIInChI=1S/C11H14O2/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKeyVQTZONPDOFOTIF-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.57
Rot. Bonds5

About 1-hydroxy-5-phenylpentan-3-one

1-hydroxy-5-phenylpentan-3-one (PubChem CID 15316212) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-hydroxy-5-phenylpentan-3-one.

Molecular Properties

Compound Name1-hydroxy-5-phenylpentan-3-one
PubChem CID15316212
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-hydroxy-5-phenylpentan-3-one
SMILESO=C(CCO)CCc1ccccc1
InChIInChI=1S/C11H14O2/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKeyVQTZONPDOFOTIF-UHFFFAOYSA-N
XLogP1.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-phenylpentan-3-one?
The IUPAC name of 1-hydroxy-5-phenylpentan-3-one (CID 15316212) is 1-hydroxy-5-phenylpentan-3-one.
What is the SMILES notation for 1-hydroxy-5-phenylpentan-3-one?
The canonical SMILES for 1-hydroxy-5-phenylpentan-3-one is O=C(CCO)CCc1ccccc1.
What is the InChIKey of 1-hydroxy-5-phenylpentan-3-one?
The InChIKey is VQTZONPDOFOTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-5,12H,6-9H2.
What are the key properties of 1-hydroxy-5-phenylpentan-3-one?
1-hydroxy-5-phenylpentan-3-one has a molecular weight of 178.23 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-phenylpentan-3-one is sourced from PubChem (CID 15316212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).