3-methyl-1-phenylphosphanylbutan-1-one

C11H15OP — CID 23414225

IUPAC3-methyl-1-phenylphosphanylbutan-1-one
SMILESCC(C)CC(=O)Pc1ccccc1
InChIInChI=1S/C11H15OP/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h3-7,9,13H,8H2,1-2H3
InChIKeyLSIAECRPEGLEBW-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.56
Rot. Bonds4

About 3-methyl-1-phenylphosphanylbutan-1-one

3-methyl-1-phenylphosphanylbutan-1-one (PubChem CID 23414225) has the molecular formula C11H15OP and a molecular weight of 194.21 g/mol. Its IUPAC name is 3-methyl-1-phenylphosphanylbutan-1-one.

Molecular Properties

Compound Name3-methyl-1-phenylphosphanylbutan-1-one
PubChem CID23414225
Molecular FormulaC11H15OP
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name3-methyl-1-phenylphosphanylbutan-1-one
SMILESCC(C)CC(=O)Pc1ccccc1
InChIInChI=1S/C11H15OP/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h3-7,9,13H,8H2,1-2H3
InChIKeyLSIAECRPEGLEBW-UHFFFAOYSA-N
XLogP2.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylphosphanylbutan-1-one?
The IUPAC name of 3-methyl-1-phenylphosphanylbutan-1-one (CID 23414225) is 3-methyl-1-phenylphosphanylbutan-1-one.
What is the SMILES notation for 3-methyl-1-phenylphosphanylbutan-1-one?
The canonical SMILES for 3-methyl-1-phenylphosphanylbutan-1-one is CC(C)CC(=O)Pc1ccccc1.
What is the InChIKey of 3-methyl-1-phenylphosphanylbutan-1-one?
The InChIKey is LSIAECRPEGLEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15OP/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h3-7,9,13H,8H2,1-2H3.
What are the key properties of 3-methyl-1-phenylphosphanylbutan-1-one?
3-methyl-1-phenylphosphanylbutan-1-one has a molecular weight of 194.21 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylphosphanylbutan-1-one is sourced from PubChem (CID 23414225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).