1-bis(phenylmethoxy)phosphorylpropan-2-one

C17H19O4P — CID 176899401

IUPAC1-bis(phenylmethoxy)phosphorylpropan-2-one
SMILESCC(=O)CP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19O4P/c1-15(18)14-22(19,20-12-16-8-4-2-5-9-16)21-13-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3
InChIKeyVFCXKNORFPLROJ-UHFFFAOYSA-N
MW318.31 g/mol
LogP4.20
Rot. Bonds8

About 1-bis(phenylmethoxy)phosphorylpropan-2-one

1-bis(phenylmethoxy)phosphorylpropan-2-one (PubChem CID 176899401) has the molecular formula C17H19O4P and a molecular weight of 318.31 g/mol. Its IUPAC name is 1-bis(phenylmethoxy)phosphorylpropan-2-one.

Molecular Properties

Compound Name1-bis(phenylmethoxy)phosphorylpropan-2-one
PubChem CID176899401
Molecular FormulaC17H19O4P
Molecular Weight318.31 g/mol
Exact Mass318.10
IUPAC Name1-bis(phenylmethoxy)phosphorylpropan-2-one
SMILESCC(=O)CP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19O4P/c1-15(18)14-22(19,20-12-16-8-4-2-5-9-16)21-13-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3
InChIKeyVFCXKNORFPLROJ-UHFFFAOYSA-N
XLogP4.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
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

benzyl 2-bis(phenylmethoxy)phosphorylacetate
CID 87986424
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
[2-phenylethyl(phenylmethoxy)phosphoryl] acetate
CID 88790998
3-bis(phenylmethoxy)phosphorylpropanoic acid
CID 46223844
[phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
CID 59131511
bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene
CID 10778014
dibenzyl hydrogen phosphate;silver
CID 85301331
1-bis(phenylmethoxy)phosphoryl-4-trityloxybutan-2-one
CID 11146358
[but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 71417020
1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one
CID 23002023
4-bis(phenylmethoxy)phosphorylbutan-1-ol
CID 170700837

Frequently Asked Questions

What is the IUPAC name of 1-bis(phenylmethoxy)phosphorylpropan-2-one?
The IUPAC name of 1-bis(phenylmethoxy)phosphorylpropan-2-one (CID 176899401) is 1-bis(phenylmethoxy)phosphorylpropan-2-one.
What is the SMILES notation for 1-bis(phenylmethoxy)phosphorylpropan-2-one?
The canonical SMILES for 1-bis(phenylmethoxy)phosphorylpropan-2-one is CC(=O)CP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 1-bis(phenylmethoxy)phosphorylpropan-2-one?
The InChIKey is VFCXKNORFPLROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O4P/c1-15(18)14-22(19,20-12-16-8-4-2-5-9-16)21-13-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3.
What are the key properties of 1-bis(phenylmethoxy)phosphorylpropan-2-one?
1-bis(phenylmethoxy)phosphorylpropan-2-one has a molecular weight of 318.31 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(phenylmethoxy)phosphorylpropan-2-one is sourced from PubChem (CID 176899401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).