1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone

C12H17O2P — CID 156754272

IUPAC1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone
SMILESCOc1ccc(CCP(C)C(C)=O)cc1
InChIInChI=1S/C12H17O2P/c1-10(13)15(3)9-8-11-4-6-12(14-2)7-5-11/h4-7H,8-9H2,1-3H3
InChIKeyIBTRWJHKALMTIC-UHFFFAOYSA-N
MW224.24 g/mol
LogP2.90
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone

1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone (PubChem CID 156754272) has the molecular formula C12H17O2P and a molecular weight of 224.24 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone
PubChem CID156754272
Molecular FormulaC12H17O2P
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone
SMILESCOc1ccc(CCP(C)C(C)=O)cc1
InChIInChI=1S/C12H17O2P/c1-10(13)15(3)9-8-11-4-6-12(14-2)7-5-11/h4-7H,8-9H2,1-3H3
InChIKeyIBTRWJHKALMTIC-UHFFFAOYSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone (CID 156754272) is 1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone is COc1ccc(CCP(C)C(C)=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone?
The InChIKey is IBTRWJHKALMTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O2P/c1-10(13)15(3)9-8-11-4-6-12(14-2)7-5-11/h4-7H,8-9H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone?
1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone has a molecular weight of 224.24 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone is sourced from PubChem (CID 156754272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).