2-hydroxy-1-phenylbutan-1-one

C10H12O2 — CID 569922

IUPAC2-hydroxy-1-phenylbutan-1-one
SMILESCCC(O)C(=O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3
InChIKeyFQKYTBQZPFRTDH-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.64
Rot. Bonds3

About 2-hydroxy-1-phenylbutan-1-one

2-hydroxy-1-phenylbutan-1-one (PubChem CID 569922) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-hydroxy-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-phenylbutan-1-one
PubChem CID569922
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-hydroxy-1-phenylbutan-1-one
SMILESCCC(O)C(=O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3
InChIKeyFQKYTBQZPFRTDH-UHFFFAOYSA-N
XLogP1.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-phenylbutan-1-one?
The IUPAC name of 2-hydroxy-1-phenylbutan-1-one (CID 569922) is 2-hydroxy-1-phenylbutan-1-one.
What is the SMILES notation for 2-hydroxy-1-phenylbutan-1-one?
The canonical SMILES for 2-hydroxy-1-phenylbutan-1-one is CCC(O)C(=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-1-phenylbutan-1-one?
The InChIKey is FQKYTBQZPFRTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3.
What are the key properties of 2-hydroxy-1-phenylbutan-1-one?
2-hydroxy-1-phenylbutan-1-one has a molecular weight of 164.20 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-phenylbutan-1-one is sourced from PubChem (CID 569922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).