benzyl-dimethyl-(2-phenoxyethyl)phosphanium

C17H22OP+ — CID 126733659

IUPACbenzyl-dimethyl-(2-phenoxyethyl)phosphanium
SMILESC[P+](C)(CCOc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H22OP/c1-19(2,15-16-9-5-3-6-10-16)14-13-18-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3/q+1
InChIKeyQJHATSDISGSRDU-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.54
Rot. Bonds6

About benzyl-dimethyl-(2-phenoxyethyl)phosphanium

benzyl-dimethyl-(2-phenoxyethyl)phosphanium (PubChem CID 126733659) has the molecular formula C17H22OP+ and a molecular weight of 273.34 g/mol. Its IUPAC name is benzyl-dimethyl-(2-phenoxyethyl)phosphanium.

Molecular Properties

Compound Namebenzyl-dimethyl-(2-phenoxyethyl)phosphanium
PubChem CID126733659
Molecular FormulaC17H22OP+
Molecular Weight273.34 g/mol
Exact Mass273.14
IUPAC Namebenzyl-dimethyl-(2-phenoxyethyl)phosphanium
SMILESC[P+](C)(CCOc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H22OP/c1-19(2,15-16-9-5-3-6-10-16)14-13-18-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3/q+1
InChIKeyQJHATSDISGSRDU-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-phenoxy-1-phenylpentan-2-amine
CID 62935761
benzyl-dimethyl-pentadecylphosphanium
CID 157445205
10-methyldodecoxybenzene
CID 143389992
benzyl-decyl-dimethylphosphanium chloride
CID 67153395
3,3-bis(dimethoxyphosphoryl)propoxybenzene
CID 10215479
1-[3-(2-methylpropyl)phenyl]-3-phenoxypropan-1-ol
CID 116543492
1-(4-methylphenyl)-5-phenoxypentan-2-amine
CID 62936792
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
N-methyl-1-phenoxy-5-phenylpentan-3-amine
CID 60798158
7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921
1,5-diphenoxypentan-3-ol
CID 5314309
pentoxybenzene;undecane
CID 174778179

Frequently Asked Questions

What is the IUPAC name of benzyl-dimethyl-(2-phenoxyethyl)phosphanium?
The IUPAC name of benzyl-dimethyl-(2-phenoxyethyl)phosphanium (CID 126733659) is benzyl-dimethyl-(2-phenoxyethyl)phosphanium.
What is the SMILES notation for benzyl-dimethyl-(2-phenoxyethyl)phosphanium?
The canonical SMILES for benzyl-dimethyl-(2-phenoxyethyl)phosphanium is C[P+](C)(CCOc1ccccc1)Cc1ccccc1.
What is the InChIKey of benzyl-dimethyl-(2-phenoxyethyl)phosphanium?
The InChIKey is QJHATSDISGSRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22OP/c1-19(2,15-16-9-5-3-6-10-16)14-13-18-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3/q+1.
What are the key properties of benzyl-dimethyl-(2-phenoxyethyl)phosphanium?
benzyl-dimethyl-(2-phenoxyethyl)phosphanium has a molecular weight of 273.34 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-(2-phenoxyethyl)phosphanium is sourced from PubChem (CID 126733659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).