1-[methoxy(phenyl)phosphoryl]-2-phenylethanone

C15H15O3P — CID 86255472

IUPAC1-[methoxy(phenyl)phosphoryl]-2-phenylethanone
SMILESCOP(=O)(C(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15O3P/c1-18-19(17,14-10-6-3-7-11-14)15(16)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChIKeyNVRJBVYGMNCXFC-UHFFFAOYSA-N
MW274.26 g/mol
LogP3.01
Rot. Bonds5

About 1-[methoxy(phenyl)phosphoryl]-2-phenylethanone

1-[methoxy(phenyl)phosphoryl]-2-phenylethanone (PubChem CID 86255472) has the molecular formula C15H15O3P and a molecular weight of 274.26 g/mol. Its IUPAC name is 1-[methoxy(phenyl)phosphoryl]-2-phenylethanone.

Molecular Properties

Compound Name1-[methoxy(phenyl)phosphoryl]-2-phenylethanone
PubChem CID86255472
Molecular FormulaC15H15O3P
Molecular Weight274.26 g/mol
Exact Mass274.08
IUPAC Name1-[methoxy(phenyl)phosphoryl]-2-phenylethanone
SMILESCOP(=O)(C(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15O3P/c1-18-19(17,14-10-6-3-7-11-14)15(16)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChIKeyNVRJBVYGMNCXFC-UHFFFAOYSA-N
XLogP3.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 53.01
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-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one
CID 19758093
2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid
CID 15948085
methyl 3-phenyl-2-(triphenyl-λ5-phosphanylidene)propanoate
CID 44721250
(2-diazo-2-dimethoxyphosphorylethyl)benzene
CID 14789373
1-dimethoxyphosphoryl-5-phenylpentan-1-one
CID 118861235
CID 172801156
CID 172801156
1-[methoxy(phenylmethoxy)phosphoryl]-2-methylpropan-1-one
CID 86202371
(NE)-N-[1-[methoxy(methyl)phosphoryl]-2-phenylethylidene]hydroxylamine
CID 92531582
benzene;1-phenylpropan-2-one
CID 21430852
N-(diphenylphosphorylmethyl)-N-methyl-2-phenylacetamide
CID 10044246
[chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride
CID 174937208
3-[methoxy(phenyl)phosphoryl]propanoic acid
CID 141176838

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(phenyl)phosphoryl]-2-phenylethanone?
The IUPAC name of 1-[methoxy(phenyl)phosphoryl]-2-phenylethanone (CID 86255472) is 1-[methoxy(phenyl)phosphoryl]-2-phenylethanone.
What is the SMILES notation for 1-[methoxy(phenyl)phosphoryl]-2-phenylethanone?
The canonical SMILES for 1-[methoxy(phenyl)phosphoryl]-2-phenylethanone is COP(=O)(C(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[methoxy(phenyl)phosphoryl]-2-phenylethanone?
The InChIKey is NVRJBVYGMNCXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O3P/c1-18-19(17,14-10-6-3-7-11-14)15(16)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3.
What are the key properties of 1-[methoxy(phenyl)phosphoryl]-2-phenylethanone?
1-[methoxy(phenyl)phosphoryl]-2-phenylethanone has a molecular weight of 274.26 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(phenyl)phosphoryl]-2-phenylethanone is sourced from PubChem (CID 86255472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).