2-dimethylphosphoryloxy-1-(3-ethylphenyl)ethanone

C12H17O3P — CID 174508962

IUPAC2-dimethylphosphoryloxy-1-(3-ethylphenyl)ethanone
SMILESCCc1cccc(C(=O)COP(C)(C)=O)c1
InChIInChI=1S/C12H17O3P/c1-4-10-6-5-7-11(8-10)12(13)9-15-16(2,3)14/h5-8H,4,9H2,1-3H3
InChIKeyZHSLATHWWUVOBN-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.99
Rot. Bonds5

About 2-dimethylphosphoryloxy-1-(3-ethylphenyl)ethanone

2-dimethylphosphoryloxy-1-(3-ethylphenyl)ethanone (PubChem CID 174508962) has the molecular formula C12H17O3P and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-dimethylphosphoryloxy-1-(3-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-dimethylphosphoryloxy-1-(3-ethylphenyl)ethanone
PubChem CID174508962
Molecular FormulaC12H17O3P
Molecular Weight240.24 g/mol
Exact Mass240.09
IUPAC Name2-dimethylphosphoryloxy-1-(3-ethylphenyl)ethanone
SMILESCCc1cccc(C(=O)COP(C)(C)=O)c1
InChIInChI=1S/C12H17O3P/c1-4-10-6-5-7-11(8-10)12(13)9-15-16(2,3)14/h5-8H,4,9H2,1-3H3
InChIKeyZHSLATHWWUVOBN-UHFFFAOYSA-N
XLogP2.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.99
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

ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
chloro 3-ethylbenzoate
CID 142246460
3-(3-ethylphenyl)-3-oxopropanoic acid
CID 55267512
3-ethyl-N-methylbenzamide
CID 59115297
sulfanyl 3-ethylbenzoate
CID 89208053
3-ethylbenzoic acid;propane
CID 177324794
4-but-3-ynoxy-1-(3-ethylphenyl)butan-1-one
CID 158998439
1-(3-ethylphenyl)octan-1-one
CID 115788827
3-amino-1-(3-ethylphenyl)pentan-1-one
CID 116609074
2-ethoxy-1-(3-ethylphenyl)-2-methylpropan-1-one
CID 116710309
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
6-amino-1-(3-ethylphenyl)hexan-1-one
CID 116550033

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphoryloxy-1-(3-ethylphenyl)ethanone?
The IUPAC name of 2-dimethylphosphoryloxy-1-(3-ethylphenyl)ethanone (CID 174508962) is 2-dimethylphosphoryloxy-1-(3-ethylphenyl)ethanone.
What is the SMILES notation for 2-dimethylphosphoryloxy-1-(3-ethylphenyl)ethanone?
The canonical SMILES for 2-dimethylphosphoryloxy-1-(3-ethylphenyl)ethanone is CCc1cccc(C(=O)COP(C)(C)=O)c1.
What is the InChIKey of 2-dimethylphosphoryloxy-1-(3-ethylphenyl)ethanone?
The InChIKey is ZHSLATHWWUVOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O3P/c1-4-10-6-5-7-11(8-10)12(13)9-15-16(2,3)14/h5-8H,4,9H2,1-3H3.
What are the key properties of 2-dimethylphosphoryloxy-1-(3-ethylphenyl)ethanone?
2-dimethylphosphoryloxy-1-(3-ethylphenyl)ethanone has a molecular weight of 240.24 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryloxy-1-(3-ethylphenyl)ethanone is sourced from PubChem (CID 174508962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).