1-bis(phenylmethoxy)phosphorylethanone

C16H17O4P — CID 12524609

IUPAC1-bis(phenylmethoxy)phosphorylethanone
SMILESCC(=O)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H17O4P/c1-14(17)21(18,19-12-15-8-4-2-5-9-15)20-13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKeyMYQFDJIESBEZEQ-UHFFFAOYSA-N
MW304.28 g/mol
LogP4.16
Rot. Bonds7

About 1-bis(phenylmethoxy)phosphorylethanone

1-bis(phenylmethoxy)phosphorylethanone (PubChem CID 12524609) has the molecular formula C16H17O4P and a molecular weight of 304.28 g/mol. Its IUPAC name is 1-bis(phenylmethoxy)phosphorylethanone.

Molecular Properties

Compound Name1-bis(phenylmethoxy)phosphorylethanone
PubChem CID12524609
Molecular FormulaC16H17O4P
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name1-bis(phenylmethoxy)phosphorylethanone
SMILESCC(=O)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H17O4P/c1-14(17)21(18,19-12-15-8-4-2-5-9-15)20-13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKeyMYQFDJIESBEZEQ-UHFFFAOYSA-N
XLogP4.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 54.16
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

1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one
CID 23002023
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
(E)-1-bis(phenylmethoxy)phosphorylbut-2-en-1-one
CID 11566124
1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one
CID 86202371
dibenzyl hydrogen phosphate;silver
CID 85301331
bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene
CID 10778014
acetic acid;phenylmethoxymethylbenzene
CID 175214238
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
[2-phenylethyl(phenylmethoxy)phosphoryl] acetate
CID 88790998
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848

Frequently Asked Questions

What is the IUPAC name of 1-bis(phenylmethoxy)phosphorylethanone?
The IUPAC name of 1-bis(phenylmethoxy)phosphorylethanone (CID 12524609) is 1-bis(phenylmethoxy)phosphorylethanone.
What is the SMILES notation for 1-bis(phenylmethoxy)phosphorylethanone?
The canonical SMILES for 1-bis(phenylmethoxy)phosphorylethanone is CC(=O)P(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 1-bis(phenylmethoxy)phosphorylethanone?
The InChIKey is MYQFDJIESBEZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O4P/c1-14(17)21(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 1-bis(phenylmethoxy)phosphorylethanone?
1-bis(phenylmethoxy)phosphorylethanone has a molecular weight of 304.28 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(phenylmethoxy)phosphorylethanone is sourced from PubChem (CID 12524609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).