2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone

C11H15O3P — CID 174630360

IUPAC2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)COP(C)(C)=O
InChIInChI=1S/C11H15O3P/c1-9-6-4-5-7-10(9)11(12)8-14-15(2,3)13/h4-7H,8H2,1-3H3
InChIKeyIIDXQRPIQHAXEP-UHFFFAOYSA-N
MW226.21 g/mol
LogP2.73
Rot. Bonds4

About 2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone

2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone (PubChem CID 174630360) has the molecular formula C11H15O3P and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone
PubChem CID174630360
Molecular FormulaC11H15O3P
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)COP(C)(C)=O
InChIInChI=1S/C11H15O3P/c1-9-6-4-5-7-10(9)11(12)8-14-15(2,3)13/h4-7H,8H2,1-3H3
InChIKeyIIDXQRPIQHAXEP-UHFFFAOYSA-N
XLogP2.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 52.73
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

2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone
CID 166958709
1-(2-methylphenyl)-2-phenylmethoxyethanone
CID 62029251
2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone
CID 103403707
2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone
CID 43799214
1,2-bis(2-methylphenyl)ethanone
CID 11345119
2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone
CID 43800169
2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone
CID 63654140
[4-(2-methylphenyl)-4-oxobutan-2-yl]phosphonic acid
CID 66796167
bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone
CID 18353869
1-(2-methylphenyl)-2-methylsulfanylethanone
CID 14815227
3-(2-methylphenyl)-3-oxopropanal
CID 15648082
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanone
CID 60975454

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone (CID 174630360) is 2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)COP(C)(C)=O.
What is the InChIKey of 2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone?
The InChIKey is IIDXQRPIQHAXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O3P/c1-9-6-4-5-7-10(9)11(12)8-14-15(2,3)13/h4-7H,8H2,1-3H3.
What are the key properties of 2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone?
2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone has a molecular weight of 226.21 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 174630360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).