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

C17H17O4P — CID 2307464

IUPAC2-[methoxy(phenacyl)phosphoryl]-1-phenylethanone
SMILESCOP(=O)(CC(=O)c1ccccc1)CC(=O)c1ccccc1
InChIInChI=1S/C17H17O4P/c1-21-22(20,12-16(18)14-8-4-2-5-9-14)13-17(19)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyFBRJHTXSGSICMA-UHFFFAOYSA-N
MW316.29 g/mol
LogP3.68
Rot. Bonds7

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

2-[methoxy(phenacyl)phosphoryl]-1-phenylethanone (PubChem CID 2307464) has the molecular formula C17H17O4P and a molecular weight of 316.29 g/mol. Its IUPAC name is 2-[methoxy(phenacyl)phosphoryl]-1-phenylethanone.

Molecular Properties

Compound Name2-[methoxy(phenacyl)phosphoryl]-1-phenylethanone
PubChem CID2307464
Molecular FormulaC17H17O4P
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name2-[methoxy(phenacyl)phosphoryl]-1-phenylethanone
SMILESCOP(=O)(CC(=O)c1ccccc1)CC(=O)c1ccccc1
InChIInChI=1S/C17H17O4P/c1-21-22(20,12-16(18)14-8-4-2-5-9-14)13-17(19)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyFBRJHTXSGSICMA-UHFFFAOYSA-N
XLogP3.68
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(phenacyl)phosphoryl]-1-phenylethanone?
The IUPAC name of 2-[methoxy(phenacyl)phosphoryl]-1-phenylethanone (CID 2307464) is 2-[methoxy(phenacyl)phosphoryl]-1-phenylethanone.
What is the SMILES notation for 2-[methoxy(phenacyl)phosphoryl]-1-phenylethanone?
The canonical SMILES for 2-[methoxy(phenacyl)phosphoryl]-1-phenylethanone is COP(=O)(CC(=O)c1ccccc1)CC(=O)c1ccccc1.
What is the InChIKey of 2-[methoxy(phenacyl)phosphoryl]-1-phenylethanone?
The InChIKey is FBRJHTXSGSICMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17O4P/c1-21-22(20,12-16(18)14-8-4-2-5-9-14)13-17(19)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3.
What are the key properties of 2-[methoxy(phenacyl)phosphoryl]-1-phenylethanone?
2-[methoxy(phenacyl)phosphoryl]-1-phenylethanone has a molecular weight of 316.29 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(phenacyl)phosphoryl]-1-phenylethanone is sourced from PubChem (CID 2307464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).