oxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium

C20H24O2P+ — CID 141294399

IUPACoxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium
SMILESCc1cc(C)c(C(=O)[P+](=O)c2c(C)c(C)cc(C)c2C)c(C)c1
InChIInChI=1S/C20H24O2P/c1-11-8-14(4)18(15(5)9-11)20(21)23(22)19-16(6)12(2)10-13(3)17(19)7/h8-10H,1-7H3/q+1
InChIKeyDCPOHQQQWYVEAP-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.14
Rot. Bonds3

About oxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium

oxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium (PubChem CID 141294399) has the molecular formula C20H24O2P+ and a molecular weight of 327.38 g/mol. Its IUPAC name is oxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium.

Molecular Properties

Compound Nameoxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium
PubChem CID141294399
Molecular FormulaC20H24O2P+
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameoxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium
SMILESCc1cc(C)c(C(=O)[P+](=O)c2c(C)c(C)cc(C)c2C)c(C)c1
InChIInChI=1S/C20H24O2P/c1-11-8-14(4)18(15(5)9-11)20(21)23(22)19-16(6)12(2)10-13(3)17(19)7/h8-10H,1-7H3/q+1
InChIKeyDCPOHQQQWYVEAP-UHFFFAOYSA-N
XLogP5.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.14
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 oxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium?
The IUPAC name of oxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium (CID 141294399) is oxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium.
What is the SMILES notation for oxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium?
The canonical SMILES for oxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium is Cc1cc(C)c(C(=O)[P+](=O)c2c(C)c(C)cc(C)c2C)c(C)c1.
What is the InChIKey of oxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium?
The InChIKey is DCPOHQQQWYVEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2P/c1-11-8-14(4)18(15(5)9-11)20(21)23(22)19-16(6)12(2)10-13(3)17(19)7/h8-10H,1-7H3/q+1.
What are the key properties of oxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium?
oxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium has a molecular weight of 327.38 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-(2,3,5,6-tetramethylphenyl)-(2,4,6-trimethylbenzoyl)phosphanium is sourced from PubChem (CID 141294399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).