methyl phenacyl hydrogen phosphate

C9H11O5P — CID 151367675

IUPACmethyl phenacyl hydrogen phosphate
SMILESCOP(=O)(O)OCC(=O)c1ccccc1
InChIInChI=1S/C9H11O5P/c1-13-15(11,12)14-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)
InChIKeyOPTRCULTCQVGHN-UHFFFAOYSA-N
MW230.16 g/mol
LogP1.63
Rot. Bonds5

About methyl phenacyl hydrogen phosphate

methyl phenacyl hydrogen phosphate (PubChem CID 151367675) has the molecular formula C9H11O5P and a molecular weight of 230.16 g/mol. Its IUPAC name is methyl phenacyl hydrogen phosphate.

Molecular Properties

Compound Namemethyl phenacyl hydrogen phosphate
PubChem CID151367675
Molecular FormulaC9H11O5P
Molecular Weight230.16 g/mol
Exact Mass230.03
IUPAC Namemethyl phenacyl hydrogen phosphate
SMILESCOP(=O)(O)OCC(=O)c1ccccc1
InChIInChI=1S/C9H11O5P/c1-13-15(11,12)14-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)
InChIKeyOPTRCULTCQVGHN-UHFFFAOYSA-N
XLogP1.63
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl phenacyl hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenacyloxy-1-phenylethanone
CID 12781821
3-methoxy-1-phenylpropan-1-one
CID 10942788
2-dimethylphosphoryl-1-phenylethanone
CID 555432
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid
CID 174747864
methyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate
CID 11724567
3-[bis(ethylamino)phosphoryloxy]-1-phenylpropan-1-one
CID 10085269
1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone
CID 175041062
phenacyl 4-(methylamino)but-2-enoate
CID 141055627
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
1-phenyl(111C)propan-1-one
CID 11159350
2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone
CID 929448

Frequently Asked Questions

What is the IUPAC name of methyl phenacyl hydrogen phosphate?
The IUPAC name of methyl phenacyl hydrogen phosphate (CID 151367675) is methyl phenacyl hydrogen phosphate.
What is the SMILES notation for methyl phenacyl hydrogen phosphate?
The canonical SMILES for methyl phenacyl hydrogen phosphate is COP(=O)(O)OCC(=O)c1ccccc1.
What is the InChIKey of methyl phenacyl hydrogen phosphate?
The InChIKey is OPTRCULTCQVGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O5P/c1-13-15(11,12)14-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12).
What are the key properties of methyl phenacyl hydrogen phosphate?
methyl phenacyl hydrogen phosphate has a molecular weight of 230.16 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl phenacyl hydrogen phosphate is sourced from PubChem (CID 151367675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).