3-[ethyl(phenyl)phosphanyl]oxy-1-(2,4,6-trimethylphenyl)propan-1-one

C20H25O2P — CID 154349504

IUPAC3-[ethyl(phenyl)phosphanyl]oxy-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCCP(OCCC(=O)c1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C20H25O2P/c1-5-23(18-9-7-6-8-10-18)22-12-11-19(21)20-16(3)13-15(2)14-17(20)4/h6-10,13-14H,5,11-12H2,1-4H3
InChIKeyPUKPVZOUDBKSMB-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.94
Rot. Bonds7

About 3-[ethyl(phenyl)phosphanyl]oxy-1-(2,4,6-trimethylphenyl)propan-1-one

3-[ethyl(phenyl)phosphanyl]oxy-1-(2,4,6-trimethylphenyl)propan-1-one (PubChem CID 154349504) has the molecular formula C20H25O2P and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-[ethyl(phenyl)phosphanyl]oxy-1-(2,4,6-trimethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[ethyl(phenyl)phosphanyl]oxy-1-(2,4,6-trimethylphenyl)propan-1-one
PubChem CID154349504
Molecular FormulaC20H25O2P
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name3-[ethyl(phenyl)phosphanyl]oxy-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCCP(OCCC(=O)c1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C20H25O2P/c1-5-23(18-9-7-6-8-10-18)22-12-11-19(21)20-16(3)13-15(2)14-17(20)4/h6-10,13-14H,5,11-12H2,1-4H3
InChIKeyPUKPVZOUDBKSMB-UHFFFAOYSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.94
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

[ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium
CID 160631618
3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 94278612
diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
CID 161445922
[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride
CID 175227644
[phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 154266689
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone
CID 118112452
3-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880998
4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82079539
2-methyl-2-[5-oxo-5-(2,4,6-trimethylphenyl)pentyl]dodecanoic acid
CID 159864700
1-(2-methoxy-4,6-dimethylphenyl)-3-propoxypropan-1-one
CID 106681993
2-(2-methylpyridin-1-ium-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 4203223

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(phenyl)phosphanyl]oxy-1-(2,4,6-trimethylphenyl)propan-1-one?
The IUPAC name of 3-[ethyl(phenyl)phosphanyl]oxy-1-(2,4,6-trimethylphenyl)propan-1-one (CID 154349504) is 3-[ethyl(phenyl)phosphanyl]oxy-1-(2,4,6-trimethylphenyl)propan-1-one.
What is the SMILES notation for 3-[ethyl(phenyl)phosphanyl]oxy-1-(2,4,6-trimethylphenyl)propan-1-one?
The canonical SMILES for 3-[ethyl(phenyl)phosphanyl]oxy-1-(2,4,6-trimethylphenyl)propan-1-one is CCP(OCCC(=O)c1c(C)cc(C)cc1C)c1ccccc1.
What is the InChIKey of 3-[ethyl(phenyl)phosphanyl]oxy-1-(2,4,6-trimethylphenyl)propan-1-one?
The InChIKey is PUKPVZOUDBKSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25O2P/c1-5-23(18-9-7-6-8-10-18)22-12-11-19(21)20-16(3)13-15(2)14-17(20)4/h6-10,13-14H,5,11-12H2,1-4H3.
What are the key properties of 3-[ethyl(phenyl)phosphanyl]oxy-1-(2,4,6-trimethylphenyl)propan-1-one?
3-[ethyl(phenyl)phosphanyl]oxy-1-(2,4,6-trimethylphenyl)propan-1-one has a molecular weight of 328.39 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(phenyl)phosphanyl]oxy-1-(2,4,6-trimethylphenyl)propan-1-one is sourced from PubChem (CID 154349504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).