oxo-bis(2,4,6-trimethylphenoxy)phosphanium

C18H22O3P+ — CID 57186315

IUPACoxo-bis(2,4,6-trimethylphenoxy)phosphanium
SMILESCc1cc(C)c(O[P+](=O)Oc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C18H22O3P/c1-11-7-13(3)17(14(4)8-11)20-22(19)21-18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3/q+1
InChIKeyXKBKBWQRIXBPNZ-UHFFFAOYSA-N
MW317.35 g/mol
LogP5.65
Rot. Bonds4

About oxo-bis(2,4,6-trimethylphenoxy)phosphanium

oxo-bis(2,4,6-trimethylphenoxy)phosphanium (PubChem CID 57186315) has the molecular formula C18H22O3P+ and a molecular weight of 317.35 g/mol. Its IUPAC name is oxo-bis(2,4,6-trimethylphenoxy)phosphanium.

Molecular Properties

Compound Nameoxo-bis(2,4,6-trimethylphenoxy)phosphanium
PubChem CID57186315
Molecular FormulaC18H22O3P+
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Nameoxo-bis(2,4,6-trimethylphenoxy)phosphanium
SMILESCc1cc(C)c(O[P+](=O)Oc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C18H22O3P/c1-11-7-13(3)17(14(4)8-11)20-22(19)21-18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3/q+1
InChIKeyXKBKBWQRIXBPNZ-UHFFFAOYSA-N
XLogP5.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.35
LogP ≤ 55.65
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-bis(2,4,6-trimethylphenoxy)phosphanium?
The IUPAC name of oxo-bis(2,4,6-trimethylphenoxy)phosphanium (CID 57186315) is oxo-bis(2,4,6-trimethylphenoxy)phosphanium.
What is the SMILES notation for oxo-bis(2,4,6-trimethylphenoxy)phosphanium?
The canonical SMILES for oxo-bis(2,4,6-trimethylphenoxy)phosphanium is Cc1cc(C)c(O[P+](=O)Oc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of oxo-bis(2,4,6-trimethylphenoxy)phosphanium?
The InChIKey is XKBKBWQRIXBPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3P/c1-11-7-13(3)17(14(4)8-11)20-22(19)21-18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3/q+1.
What are the key properties of oxo-bis(2,4,6-trimethylphenoxy)phosphanium?
oxo-bis(2,4,6-trimethylphenoxy)phosphanium has a molecular weight of 317.35 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(2,4,6-trimethylphenoxy)phosphanium is sourced from PubChem (CID 57186315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).