2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone

C17H19O2P — CID 118112452

IUPAC2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)COPc2ccccc2)c(C)c1
InChIInChI=1S/C17H19O2P/c1-12-9-13(2)17(14(3)10-12)16(18)11-19-20-15-7-5-4-6-8-15/h4-10,20H,11H2,1-3H3
InChIKeySCMGUKABDCHXCD-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.73
Rot. Bonds5

About 2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone

2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 118112452) has the molecular formula C17H19O2P and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID118112452
Molecular FormulaC17H19O2P
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)COPc2ccccc2)c(C)c1
InChIInChI=1S/C17H19O2P/c1-12-9-13(2)17(14(3)10-12)16(18)11-19-20-15-7-5-4-6-8-15/h4-10,20H,11H2,1-3H3
InChIKeySCMGUKABDCHXCD-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 82092903
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
2-(2,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43411877
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate
CID 2450228
2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43412302
2-(2-ethylbutoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 114208464
2-(3-fluorophenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43413394
2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 62029854
(3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 2249230
3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 94278612
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600

Frequently Asked Questions

What is the IUPAC name of 2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone (CID 118112452) is 2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)COPc2ccccc2)c(C)c1.
What is the InChIKey of 2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is SCMGUKABDCHXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O2P/c1-12-9-13(2)17(14(3)10-12)16(18)11-19-20-15-7-5-4-6-8-15/h4-10,20H,11H2,1-3H3.
What are the key properties of 2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone?
2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 286.31 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 118112452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).