[ethyl(phenyl)phosphoryl]methyl acetate

C11H15O3P — CID 73324115

IUPAC[ethyl(phenyl)phosphoryl]methyl acetate
SMILESCCP(=O)(COC(C)=O)c1ccccc1
InChIInChI=1S/C11H15O3P/c1-3-15(13,9-14-10(2)12)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyNBWXDNMSPCQAAK-UHFFFAOYSA-N
MW226.21 g/mol
LogP2.22
Rot. Bonds4

About [ethyl(phenyl)phosphoryl]methyl acetate

[ethyl(phenyl)phosphoryl]methyl acetate (PubChem CID 73324115) has the molecular formula C11H15O3P and a molecular weight of 226.21 g/mol. Its IUPAC name is [ethyl(phenyl)phosphoryl]methyl acetate.

Molecular Properties

Compound Name[ethyl(phenyl)phosphoryl]methyl acetate
PubChem CID73324115
Molecular FormulaC11H15O3P
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name[ethyl(phenyl)phosphoryl]methyl acetate
SMILESCCP(=O)(COC(C)=O)c1ccccc1
InChIInChI=1S/C11H15O3P/c1-3-15(13,9-14-10(2)12)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyNBWXDNMSPCQAAK-UHFFFAOYSA-N
XLogP2.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[phenyl(propyl)phosphoryl]acetic acid
CID 11903752
ethyl acetate;toluene
CID 66707740
ethyl acetate;toluene
CID 70093554
1-diethylphosphoryl-4-phenoxybenzene
CID 139885609
1-[ethyl(phenyl)phosphoryl]-1-methoxypropan-2-one
CID 13211568
benzyl acetate
CID 8785
acetic acid;ethyl acetate;methanol;toluene
CID 19857576
ethoxycarbonyloxy(phenyl)phosphinic acid
CID 141287038
diphenylmethanimine;ethyl acetate
CID 174383582
ethyl acetate;stilbene
CID 159556390
ethyl acetate;1-methyl-4-phenylbenzene
CID 54016895
3-[anilino(phenyl)phosphoryl]propyl acetate
CID 101007691

Frequently Asked Questions

What is the IUPAC name of [ethyl(phenyl)phosphoryl]methyl acetate?
The IUPAC name of [ethyl(phenyl)phosphoryl]methyl acetate (CID 73324115) is [ethyl(phenyl)phosphoryl]methyl acetate.
What is the SMILES notation for [ethyl(phenyl)phosphoryl]methyl acetate?
The canonical SMILES for [ethyl(phenyl)phosphoryl]methyl acetate is CCP(=O)(COC(C)=O)c1ccccc1.
What is the InChIKey of [ethyl(phenyl)phosphoryl]methyl acetate?
The InChIKey is NBWXDNMSPCQAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O3P/c1-3-15(13,9-14-10(2)12)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of [ethyl(phenyl)phosphoryl]methyl acetate?
[ethyl(phenyl)phosphoryl]methyl acetate has a molecular weight of 226.21 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(phenyl)phosphoryl]methyl acetate is sourced from PubChem (CID 73324115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).