1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one

C12H17O4P — CID 86202371

IUPAC1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one
SMILESCOP(=O)(OCc1ccccc1)C(=O)C(C)C
InChIInChI=1S/C12H17O4P/c1-10(2)12(13)17(14,15-3)16-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyPXOVCJQOWIMFKV-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.23
Rot. Bonds6

About 1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one

1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one (PubChem CID 86202371) has the molecular formula C12H17O4P and a molecular weight of 256.24 g/mol. Its IUPAC name is 1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one
PubChem CID86202371
Molecular FormulaC12H17O4P
Molecular Weight256.24 g/mol
Exact Mass256.09
IUPAC Name1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one
SMILESCOP(=O)(OCc1ccccc1)C(=O)C(C)C
InChIInChI=1S/C12H17O4P/c1-10(2)12(13)17(14,15-3)16-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyPXOVCJQOWIMFKV-UHFFFAOYSA-N
XLogP3.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.23
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-bis(phenylmethoxy)phosphorylethanone
CID 12524609
1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one
CID 23002023
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
(E)-1-bis(phenylmethoxy)phosphorylbut-2-en-1-one
CID 11566124
(2S)-1-dimethoxyphosphoryl-2-phenylpropan-1-one
CID 125471813
[methyl(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
CID 59131396
[amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate
CID 174953315
[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
CID 87190158
[phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene
CID 173485287
benzyl ethyl methyl phosphate
CID 152677778
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
dibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate
CID 59169038

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one?
The IUPAC name of 1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one (CID 86202371) is 1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one?
The canonical SMILES for 1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one is COP(=O)(OCc1ccccc1)C(=O)C(C)C.
What is the InChIKey of 1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one?
The InChIKey is PXOVCJQOWIMFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O4P/c1-10(2)12(13)17(14,15-3)16-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one?
1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one has a molecular weight of 256.24 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one is sourced from PubChem (CID 86202371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).