[ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium

C18H23O2P2+ — CID 160631618

IUPAC[ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium
SMILESCCP(C(=O)c1c(C)cc(C)cc1C)c1ccccc1.O=[PH2+]
InChIInChI=1S/C18H21OP.H2OP/c1-5-20(16-9-7-6-8-10-16)18(19)17-14(3)11-13(2)12-15(17)4;1-2/h6-12H,5H2,1-4H3;2H2/q;+1
InChIKeyVWLGIPDUDGTABX-UHFFFAOYSA-N
MW333.33 g/mol
LogP4.79
Rot. Bonds4

About [ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium

[ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium (PubChem CID 160631618) has the molecular formula C18H23O2P2+ and a molecular weight of 333.33 g/mol. Its IUPAC name is [ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium.

Molecular Properties

Compound Name[ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium
PubChem CID160631618
Molecular FormulaC18H23O2P2+
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC Name[ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium
SMILESCCP(C(=O)c1c(C)cc(C)cc1C)c1ccccc1.O=[PH2+]
InChIInChI=1S/C18H21OP.H2OP/c1-5-20(16-9-7-6-8-10-16)18(19)17-14(3)11-13(2)12-15(17)4;1-2/h6-12H,5H2,1-4H3;2H2/q;+1
InChIKeyVWLGIPDUDGTABX-UHFFFAOYSA-N
XLogP4.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 54.79
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 [ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium?
The IUPAC name of [ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium (CID 160631618) is [ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium.
What is the SMILES notation for [ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium?
The canonical SMILES for [ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium is CCP(C(=O)c1c(C)cc(C)cc1C)c1ccccc1.O=[PH2+].
What is the InChIKey of [ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium?
The InChIKey is VWLGIPDUDGTABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21OP.H2OP/c1-5-20(16-9-7-6-8-10-16)18(19)17-14(3)11-13(2)12-15(17)4;1-2/h6-12H,5H2,1-4H3;2H2/q;+1.
What are the key properties of [ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium?
[ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium has a molecular weight of 333.33 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium is sourced from PubChem (CID 160631618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).