[2-phenylethyl(phenylmethoxy)phosphoryl] acetate

C17H19O4P — CID 88790998

IUPAC[2-phenylethyl(phenylmethoxy)phosphoryl] acetate
SMILESCC(=O)OP(=O)(CCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19O4P/c1-15(18)21-22(19,13-12-16-8-4-2-5-9-16)20-14-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3
InChIKeyAJAKZERLMQCZBD-UHFFFAOYSA-N
MW318.31 g/mol
LogP4.20
Rot. Bonds7

About [2-phenylethyl(phenylmethoxy)phosphoryl] acetate

[2-phenylethyl(phenylmethoxy)phosphoryl] acetate (PubChem CID 88790998) has the molecular formula C17H19O4P and a molecular weight of 318.31 g/mol. Its IUPAC name is [2-phenylethyl(phenylmethoxy)phosphoryl] acetate.

Molecular Properties

Compound Name[2-phenylethyl(phenylmethoxy)phosphoryl] acetate
PubChem CID88790998
Molecular FormulaC17H19O4P
Molecular Weight318.31 g/mol
Exact Mass318.10
IUPAC Name[2-phenylethyl(phenylmethoxy)phosphoryl] acetate
SMILESCC(=O)OP(=O)(CCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19O4P/c1-15(18)21-22(19,13-12-16-8-4-2-5-9-16)20-14-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3
InChIKeyAJAKZERLMQCZBD-UHFFFAOYSA-N
XLogP4.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
3-bis(phenylmethoxy)phosphorylpropanoic acid
CID 46223844
[3-(1-hydroxy-2-methylpropoxy)propoxy-(4-phenylbutyl)phosphoryl] acetate
CID 87525216
2-diethoxyphosphorylethylbenzene
CID 3448525
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
benzyl 2-bis(phenylmethoxy)phosphorylacetate
CID 87986424
4-bis(phenylmethoxy)phosphorylbutan-1-ol
CID 170700837
[chlorooxy(2-phenylethyl)phosphoryl] hypochlorite
CID 162515513
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
benzyl acetate
CID 8785

Frequently Asked Questions

What is the IUPAC name of [2-phenylethyl(phenylmethoxy)phosphoryl] acetate?
The IUPAC name of [2-phenylethyl(phenylmethoxy)phosphoryl] acetate (CID 88790998) is [2-phenylethyl(phenylmethoxy)phosphoryl] acetate.
What is the SMILES notation for [2-phenylethyl(phenylmethoxy)phosphoryl] acetate?
The canonical SMILES for [2-phenylethyl(phenylmethoxy)phosphoryl] acetate is CC(=O)OP(=O)(CCc1ccccc1)OCc1ccccc1.
What is the InChIKey of [2-phenylethyl(phenylmethoxy)phosphoryl] acetate?
The InChIKey is AJAKZERLMQCZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O4P/c1-15(18)21-22(19,13-12-16-8-4-2-5-9-16)20-14-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3.
What are the key properties of [2-phenylethyl(phenylmethoxy)phosphoryl] acetate?
[2-phenylethyl(phenylmethoxy)phosphoryl] acetate has a molecular weight of 318.31 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenylethyl(phenylmethoxy)phosphoryl] acetate is sourced from PubChem (CID 88790998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).