bis(phenylmethoxy)phosphoryl acetate

C16H17O5P — CID 23184950

IUPACbis(phenylmethoxy)phosphoryl acetate
SMILESCC(=O)OP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H17O5P/c1-14(17)21-22(18,19-12-15-8-4-2-5-9-15)20-13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKeyIKSKUPZIXIUYIL-UHFFFAOYSA-N
MW320.28 g/mol
LogP4.09
Rot. Bonds7

About bis(phenylmethoxy)phosphoryl acetate

bis(phenylmethoxy)phosphoryl acetate (PubChem CID 23184950) has the molecular formula C16H17O5P and a molecular weight of 320.28 g/mol. Its IUPAC name is bis(phenylmethoxy)phosphoryl acetate.

Molecular Properties

Compound Namebis(phenylmethoxy)phosphoryl acetate
PubChem CID23184950
Molecular FormulaC16H17O5P
Molecular Weight320.28 g/mol
Exact Mass320.08
IUPAC Namebis(phenylmethoxy)phosphoryl acetate
SMILESCC(=O)OP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H17O5P/c1-14(17)21-22(18,19-12-15-8-4-2-5-9-15)20-13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKeyIKSKUPZIXIUYIL-UHFFFAOYSA-N
XLogP4.09
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(phenylmethoxy)phosphoryl acetate?
The IUPAC name of bis(phenylmethoxy)phosphoryl acetate (CID 23184950) is bis(phenylmethoxy)phosphoryl acetate.
What is the SMILES notation for bis(phenylmethoxy)phosphoryl acetate?
The canonical SMILES for bis(phenylmethoxy)phosphoryl acetate is CC(=O)OP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of bis(phenylmethoxy)phosphoryl acetate?
The InChIKey is IKSKUPZIXIUYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O5P/c1-14(17)21-22(18,19-12-15-8-4-2-5-9-15)20-13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3.
What are the key properties of bis(phenylmethoxy)phosphoryl acetate?
bis(phenylmethoxy)phosphoryl acetate has a molecular weight of 320.28 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phenylmethoxy)phosphoryl acetate is sourced from PubChem (CID 23184950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).