ethyl-tris(3-methylphenyl)phosphanium

C23H26P+ — CID 18958193

IUPACethyl-tris(3-methylphenyl)phosphanium
SMILESCC[P+](c1cccc(C)c1)(c1cccc(C)c1)c1cccc(C)c1
InChIInChI=1S/C23H26P/c1-5-24(21-12-6-9-18(2)15-21,22-13-7-10-19(3)16-22)23-14-8-11-20(4)17-23/h6-17H,5H2,1-4H3/q+1
InChIKeyLPJCLARTHJSHKR-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.93
Rot. Bonds4

About ethyl-tris(3-methylphenyl)phosphanium

ethyl-tris(3-methylphenyl)phosphanium (PubChem CID 18958193) has the molecular formula C23H26P+ and a molecular weight of 333.44 g/mol. Its IUPAC name is ethyl-tris(3-methylphenyl)phosphanium.

Molecular Properties

Compound Nameethyl-tris(3-methylphenyl)phosphanium
PubChem CID18958193
Molecular FormulaC23H26P+
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Nameethyl-tris(3-methylphenyl)phosphanium
SMILESCC[P+](c1cccc(C)c1)(c1cccc(C)c1)c1cccc(C)c1
InChIInChI=1S/C23H26P/c1-5-24(21-12-6-9-18(2)15-21,22-13-7-10-19(3)16-22)23-14-8-11-20(4)17-23/h6-17H,5H2,1-4H3/q+1
InChIKeyLPJCLARTHJSHKR-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
tris(3-methylphenyl)-propan-2-ylphosphanium
CID 142458565
ethane;propane;1,3-xylene
CID 144528046
(3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium
CID 18958181
(3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride
CID 19009660
(4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium
CID 91016846
diiodonickel;ethyl(triphenyl)phosphanium
CID 160550890
ethyl(triphenyl)phosphanium hexafluorophosphate
CID 22677091
phosphane;tris(1,3-xylene)
CID 67351774
uranium;1,3-xylene
CID 142096795
argon;1,3-xylene
CID 161468194
ethane;1,3-xylene
CID 54570178

Frequently Asked Questions

What is the IUPAC name of ethyl-tris(3-methylphenyl)phosphanium?
The IUPAC name of ethyl-tris(3-methylphenyl)phosphanium (CID 18958193) is ethyl-tris(3-methylphenyl)phosphanium.
What is the SMILES notation for ethyl-tris(3-methylphenyl)phosphanium?
The canonical SMILES for ethyl-tris(3-methylphenyl)phosphanium is CC[P+](c1cccc(C)c1)(c1cccc(C)c1)c1cccc(C)c1.
What is the InChIKey of ethyl-tris(3-methylphenyl)phosphanium?
The InChIKey is LPJCLARTHJSHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26P/c1-5-24(21-12-6-9-18(2)15-21,22-13-7-10-19(3)16-22)23-14-8-11-20(4)17-23/h6-17H,5H2,1-4H3/q+1.
What are the key properties of ethyl-tris(3-methylphenyl)phosphanium?
ethyl-tris(3-methylphenyl)phosphanium has a molecular weight of 333.44 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-tris(3-methylphenyl)phosphanium is sourced from PubChem (CID 18958193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).