1-[methyl(phenylmethoxy)phosphoryl]ethanone

C10H13O3P — CID 118298808

IUPAC1-[methyl(phenylmethoxy)phosphoryl]ethanone
SMILESCC(=O)P(C)(=O)OCc1ccccc1
InChIInChI=1S/C10H13O3P/c1-9(11)14(2,12)13-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyMXNNUNGYKOYCIP-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.66
Rot. Bonds4

About 1-[methyl(phenylmethoxy)phosphoryl]ethanone

1-[methyl(phenylmethoxy)phosphoryl]ethanone (PubChem CID 118298808) has the molecular formula C10H13O3P and a molecular weight of 212.19 g/mol. Its IUPAC name is 1-[methyl(phenylmethoxy)phosphoryl]ethanone.

Molecular Properties

Compound Name1-[methyl(phenylmethoxy)phosphoryl]ethanone
PubChem CID118298808
Molecular FormulaC10H13O3P
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name1-[methyl(phenylmethoxy)phosphoryl]ethanone
SMILESCC(=O)P(C)(=O)OCc1ccccc1
InChIInChI=1S/C10H13O3P/c1-9(11)14(2,12)13-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyMXNNUNGYKOYCIP-UHFFFAOYSA-N
XLogP2.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)phosphorylpropan-2-one
CID 176899401
2-(dibenzylamino)-1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 59082835
bis(2-methylprop-2-enyl)phosphoryloxymethylbenzene
CID 10778014
dibenzyl hydrogen phosphate;silver
CID 85301331
1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropan-1-one
CID 23002023
1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one
CID 86202371
[phenyl(prop-1-en-2-yloxy)phosphoryl]oxymethylbenzene
CID 71387849
acetic acid;phenylmethoxymethylbenzene
CID 175214238
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
benzyl bis(ethenyl) phosphate
CID 141056267

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(phenylmethoxy)phosphoryl]ethanone?
The IUPAC name of 1-[methyl(phenylmethoxy)phosphoryl]ethanone (CID 118298808) is 1-[methyl(phenylmethoxy)phosphoryl]ethanone.
What is the SMILES notation for 1-[methyl(phenylmethoxy)phosphoryl]ethanone?
The canonical SMILES for 1-[methyl(phenylmethoxy)phosphoryl]ethanone is CC(=O)P(C)(=O)OCc1ccccc1.
What is the InChIKey of 1-[methyl(phenylmethoxy)phosphoryl]ethanone?
The InChIKey is MXNNUNGYKOYCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O3P/c1-9(11)14(2,12)13-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3.
What are the key properties of 1-[methyl(phenylmethoxy)phosphoryl]ethanone?
1-[methyl(phenylmethoxy)phosphoryl]ethanone has a molecular weight of 212.19 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(phenylmethoxy)phosphoryl]ethanone is sourced from PubChem (CID 118298808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).