1-[ethyl(phenyl)phosphoryl]-1-methoxypropan-2-one

C12H17O3P — CID 13211568

IUPAC1-[ethyl(phenyl)phosphoryl]-1-methoxypropan-2-one
SMILESCCP(=O)(c1ccccc1)C(OC)C(C)=O
InChIInChI=1S/C12H17O3P/c1-4-16(14,12(15-3)10(2)13)11-8-6-5-7-9-11/h5-9,12H,4H2,1-3H3
InChIKeyYWLXYBQCTUPPKX-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.26
Rot. Bonds5

About 1-[ethyl(phenyl)phosphoryl]-1-methoxypropan-2-one

1-[ethyl(phenyl)phosphoryl]-1-methoxypropan-2-one (PubChem CID 13211568) has the molecular formula C12H17O3P and a molecular weight of 240.24 g/mol. Its IUPAC name is 1-[ethyl(phenyl)phosphoryl]-1-methoxypropan-2-one.

Molecular Properties

Compound Name1-[ethyl(phenyl)phosphoryl]-1-methoxypropan-2-one
PubChem CID13211568
Molecular FormulaC12H17O3P
Molecular Weight240.24 g/mol
Exact Mass240.09
IUPAC Name1-[ethyl(phenyl)phosphoryl]-1-methoxypropan-2-one
SMILESCCP(=O)(c1ccccc1)C(OC)C(C)=O
InChIInChI=1S/C12H17O3P/c1-4-16(14,12(15-3)10(2)13)11-8-6-5-7-9-11/h5-9,12H,4H2,1-3H3
InChIKeyYWLXYBQCTUPPKX-UHFFFAOYSA-N
XLogP2.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(phenyl)phosphoryl]-1-methoxypropan-2-one?
The IUPAC name of 1-[ethyl(phenyl)phosphoryl]-1-methoxypropan-2-one (CID 13211568) is 1-[ethyl(phenyl)phosphoryl]-1-methoxypropan-2-one.
What is the SMILES notation for 1-[ethyl(phenyl)phosphoryl]-1-methoxypropan-2-one?
The canonical SMILES for 1-[ethyl(phenyl)phosphoryl]-1-methoxypropan-2-one is CCP(=O)(c1ccccc1)C(OC)C(C)=O.
What is the InChIKey of 1-[ethyl(phenyl)phosphoryl]-1-methoxypropan-2-one?
The InChIKey is YWLXYBQCTUPPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O3P/c1-4-16(14,12(15-3)10(2)13)11-8-6-5-7-9-11/h5-9,12H,4H2,1-3H3.
What are the key properties of 1-[ethyl(phenyl)phosphoryl]-1-methoxypropan-2-one?
1-[ethyl(phenyl)phosphoryl]-1-methoxypropan-2-one has a molecular weight of 240.24 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(phenyl)phosphoryl]-1-methoxypropan-2-one is sourced from PubChem (CID 13211568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).