oxo-[1-oxo-1-(2,4,6-trichlorophenyl)propan-2-yl]-(2,4,6-trimethylbenzoyl)phosphanium

C19H17Cl3O3P+ — CID 173194919

IUPACoxo-[1-oxo-1-(2,4,6-trichlorophenyl)propan-2-yl]-(2,4,6-trimethylbenzoyl)phosphanium
SMILESCc1cc(C)c(C(=O)[P+](=O)C(C)C(=O)c2c(Cl)cc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C19H17Cl3O3P/c1-9-5-10(2)16(11(3)6-9)19(24)26(25)12(4)18(23)17-14(21)7-13(20)8-15(17)22/h5-8,12H,1-4H3/q+1
InChIKeySNRXMVPHYCFGTC-UHFFFAOYSA-N
MW430.68 g/mol
LogP6.81
Rot. Bonds5

About oxo-[1-oxo-1-(2,4,6-trichlorophenyl)propan-2-yl]-(2,4,6-trimethylbenzoyl)phosphanium

oxo-[1-oxo-1-(2,4,6-trichlorophenyl)propan-2-yl]-(2,4,6-trimethylbenzoyl)phosphanium (PubChem CID 173194919) has the molecular formula C19H17Cl3O3P+ and a molecular weight of 430.68 g/mol. Its IUPAC name is oxo-[1-oxo-1-(2,4,6-trichlorophenyl)propan-2-yl]-(2,4,6-trimethylbenzoyl)phosphanium.

Molecular Properties

Compound Nameoxo-[1-oxo-1-(2,4,6-trichlorophenyl)propan-2-yl]-(2,4,6-trimethylbenzoyl)phosphanium
PubChem CID173194919
Molecular FormulaC19H17Cl3O3P+
Molecular Weight430.68 g/mol
Exact Mass429.00
IUPAC Nameoxo-[1-oxo-1-(2,4,6-trichlorophenyl)propan-2-yl]-(2,4,6-trimethylbenzoyl)phosphanium
SMILESCc1cc(C)c(C(=O)[P+](=O)C(C)C(=O)c2c(Cl)cc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C19H17Cl3O3P/c1-9-5-10(2)16(11(3)6-9)19(24)26(25)12(4)18(23)17-14(21)7-13(20)8-15(17)22/h5-8,12H,1-4H3/q+1
InChIKeySNRXMVPHYCFGTC-UHFFFAOYSA-N
XLogP6.81
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.68
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo-[1-oxo-1-(2,4,6-trichlorophenyl)propan-2-yl]-(2,4,6-trimethylbenzoyl)phosphanium?
The IUPAC name of oxo-[1-oxo-1-(2,4,6-trichlorophenyl)propan-2-yl]-(2,4,6-trimethylbenzoyl)phosphanium (CID 173194919) is oxo-[1-oxo-1-(2,4,6-trichlorophenyl)propan-2-yl]-(2,4,6-trimethylbenzoyl)phosphanium.
What is the SMILES notation for oxo-[1-oxo-1-(2,4,6-trichlorophenyl)propan-2-yl]-(2,4,6-trimethylbenzoyl)phosphanium?
The canonical SMILES for oxo-[1-oxo-1-(2,4,6-trichlorophenyl)propan-2-yl]-(2,4,6-trimethylbenzoyl)phosphanium is Cc1cc(C)c(C(=O)[P+](=O)C(C)C(=O)c2c(Cl)cc(Cl)cc2Cl)c(C)c1.
What is the InChIKey of oxo-[1-oxo-1-(2,4,6-trichlorophenyl)propan-2-yl]-(2,4,6-trimethylbenzoyl)phosphanium?
The InChIKey is SNRXMVPHYCFGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3O3P/c1-9-5-10(2)16(11(3)6-9)19(24)26(25)12(4)18(23)17-14(21)7-13(20)8-15(17)22/h5-8,12H,1-4H3/q+1.
What are the key properties of oxo-[1-oxo-1-(2,4,6-trichlorophenyl)propan-2-yl]-(2,4,6-trimethylbenzoyl)phosphanium?
oxo-[1-oxo-1-(2,4,6-trichlorophenyl)propan-2-yl]-(2,4,6-trimethylbenzoyl)phosphanium has a molecular weight of 430.68 g/mol, XLogP of 6.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-[1-oxo-1-(2,4,6-trichlorophenyl)propan-2-yl]-(2,4,6-trimethylbenzoyl)phosphanium is sourced from PubChem (CID 173194919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).