1-(3,5-diacetyl-4-phosphorosophenyl)ethanone

C12H11O4P — CID 172808350

IUPAC1-(3,5-diacetyl-4-phosphorosophenyl)ethanone
SMILESCC(=O)c1cc(C(C)=O)c(P=O)c(C(C)=O)c1
InChIInChI=1S/C12H11O4P/c1-6(13)9-4-10(7(2)14)12(17-16)11(5-9)8(3)15/h4-5H,1-3H3
InChIKeyFXGWQSXNWYTTNG-UHFFFAOYSA-N
MW250.19 g/mol
LogP2.21
Rot. Bonds4

About 1-(3,5-diacetyl-4-phosphorosophenyl)ethanone

1-(3,5-diacetyl-4-phosphorosophenyl)ethanone (PubChem CID 172808350) has the molecular formula C12H11O4P and a molecular weight of 250.19 g/mol. Its IUPAC name is 1-(3,5-diacetyl-4-phosphorosophenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-diacetyl-4-phosphorosophenyl)ethanone
PubChem CID172808350
Molecular FormulaC12H11O4P
Molecular Weight250.19 g/mol
Exact Mass250.04
IUPAC Name1-(3,5-diacetyl-4-phosphorosophenyl)ethanone
SMILESCC(=O)c1cc(C(C)=O)c(P=O)c(C(C)=O)c1
InChIInChI=1S/C12H11O4P/c1-6(13)9-4-10(7(2)14)12(17-16)11(5-9)8(3)15/h4-5H,1-3H3
InChIKeyFXGWQSXNWYTTNG-UHFFFAOYSA-N
XLogP2.21
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 52.21
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-(3,5-diacetyl-4-aminophenyl)ethanone
CID 172790356
2,4,6-triacetylbenzoic acid
CID 126563511
zinc 1-(3,5-diacetyl-4-sulfanylphenyl)ethanone
CID 22351834
1-(4-acetyl-3-methylphenyl)ethanone;1-(4-acetylphenyl)ethanone
CID 54481190
1-(3-acetyl-4-methoxy-5-methylphenyl)ethanone
CID 158699125
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone
CID 143618771
1-phenylethanone;hydrate;hydrochloride
CID 21258111
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
CID 173404741
CID 173404741
1-(3-acetyl-5-methylphenyl)ethanone;ethane
CID 142103327
1-[4-(4-acetylphenyl)tellanylphenyl]ethanone
CID 15685304

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diacetyl-4-phosphorosophenyl)ethanone?
The IUPAC name of 1-(3,5-diacetyl-4-phosphorosophenyl)ethanone (CID 172808350) is 1-(3,5-diacetyl-4-phosphorosophenyl)ethanone.
What is the SMILES notation for 1-(3,5-diacetyl-4-phosphorosophenyl)ethanone?
The canonical SMILES for 1-(3,5-diacetyl-4-phosphorosophenyl)ethanone is CC(=O)c1cc(C(C)=O)c(P=O)c(C(C)=O)c1.
What is the InChIKey of 1-(3,5-diacetyl-4-phosphorosophenyl)ethanone?
The InChIKey is FXGWQSXNWYTTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O4P/c1-6(13)9-4-10(7(2)14)12(17-16)11(5-9)8(3)15/h4-5H,1-3H3.
What are the key properties of 1-(3,5-diacetyl-4-phosphorosophenyl)ethanone?
1-(3,5-diacetyl-4-phosphorosophenyl)ethanone has a molecular weight of 250.19 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diacetyl-4-phosphorosophenyl)ethanone is sourced from PubChem (CID 172808350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).