(2-benzylphenyl)-triethylphosphanium

C19H26P+ — CID 69344190

IUPAC(2-benzylphenyl)-triethylphosphanium
SMILESCC[P+](CC)(CC)c1ccccc1Cc1ccccc1
InChIInChI=1S/C19H26P/c1-4-20(5-2,6-3)19-15-11-10-14-18(19)16-17-12-8-7-9-13-17/h7-15H,4-6,16H2,1-3H3/q+1
InChIKeyHMDPXLJHCXTLJH-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.98
Rot. Bonds6

About (2-benzylphenyl)-triethylphosphanium

(2-benzylphenyl)-triethylphosphanium (PubChem CID 69344190) has the molecular formula C19H26P+ and a molecular weight of 285.39 g/mol. Its IUPAC name is (2-benzylphenyl)-triethylphosphanium.

Molecular Properties

Compound Name(2-benzylphenyl)-triethylphosphanium
PubChem CID69344190
Molecular FormulaC19H26P+
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(2-benzylphenyl)-triethylphosphanium
SMILESCC[P+](CC)(CC)c1ccccc1Cc1ccccc1
InChIInChI=1S/C19H26P/c1-4-20(5-2,6-3)19-15-11-10-14-18(19)16-17-12-8-7-9-13-17/h7-15H,4-6,16H2,1-3H3/q+1
InChIKeyHMDPXLJHCXTLJH-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.98
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

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CID 29272087
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CID 139328614
1-benzyl-2-(2-ethylphenyl)benzene
CID 20510866
1-benzyl-2-propan-2-ylbenzene
CID 13215617
2-benzylphenol;ethane
CID 91068983
benzylbenzene;methoxymethane
CID 161110966
benzylbenzene;propane;toluene
CID 90753545
1-benzyl-2,3-dipropylbenzene
CID 22920914
phenyl(113C)methylbenzene
CID 11194569
1-(2-benzylphenyl)butan-1-ol
CID 101274232
benzylbenzene;ethane;methoxymethane
CID 159187560

Frequently Asked Questions

What is the IUPAC name of (2-benzylphenyl)-triethylphosphanium?
The IUPAC name of (2-benzylphenyl)-triethylphosphanium (CID 69344190) is (2-benzylphenyl)-triethylphosphanium.
What is the SMILES notation for (2-benzylphenyl)-triethylphosphanium?
The canonical SMILES for (2-benzylphenyl)-triethylphosphanium is CC[P+](CC)(CC)c1ccccc1Cc1ccccc1.
What is the InChIKey of (2-benzylphenyl)-triethylphosphanium?
The InChIKey is HMDPXLJHCXTLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26P/c1-4-20(5-2,6-3)19-15-11-10-14-18(19)16-17-12-8-7-9-13-17/h7-15H,4-6,16H2,1-3H3/q+1.
What are the key properties of (2-benzylphenyl)-triethylphosphanium?
(2-benzylphenyl)-triethylphosphanium has a molecular weight of 285.39 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylphenyl)-triethylphosphanium is sourced from PubChem (CID 69344190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).