2-methylpropoxy(diphenyl)phosphanium

C16H20OP+ — CID 173227705

IUPAC2-methylpropoxy(diphenyl)phosphanium
SMILESCC(C)CO[PH+](c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19OP/c1-14(2)13-17-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3/p+1
InChIKeyLLLJRBSJLRYGMM-UHFFFAOYSA-O
MW259.31 g/mol
LogP3.44
Rot. Bonds5

About 2-methylpropoxy(diphenyl)phosphanium

2-methylpropoxy(diphenyl)phosphanium (PubChem CID 173227705) has the molecular formula C16H20OP+ and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methylpropoxy(diphenyl)phosphanium.

Molecular Properties

Compound Name2-methylpropoxy(diphenyl)phosphanium
PubChem CID173227705
Molecular FormulaC16H20OP+
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-methylpropoxy(diphenyl)phosphanium
SMILESCC(C)CO[PH+](c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19OP/c1-14(2)13-17-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3/p+1
InChIKeyLLLJRBSJLRYGMM-UHFFFAOYSA-O
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.44
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

CID 135048801
CID 135048801
benzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane
CID 175551749
methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene
CID 165070743
dimethoxy-(2-methylpropoxy)-phenylsilane
CID 66857887
2-methylpropyl acetate;toluene
CID 19602176
3-(2-methylpropoxy)prop-1-ynylbenzene
CID 130395196
2-methylpropyl (2R)-2-amino-2-phenylacetate
CID 61278245
dimethyl(phenyl)phosphanium
CID 23415341
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
(1S,2S)-N,N'-bis[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]-1,2-diphenylethane-1,2-diamine
CID 177391195
N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1-phenylbutan-1-amine
CID 65047919

Frequently Asked Questions

What is the IUPAC name of 2-methylpropoxy(diphenyl)phosphanium?
The IUPAC name of 2-methylpropoxy(diphenyl)phosphanium (CID 173227705) is 2-methylpropoxy(diphenyl)phosphanium.
What is the SMILES notation for 2-methylpropoxy(diphenyl)phosphanium?
The canonical SMILES for 2-methylpropoxy(diphenyl)phosphanium is CC(C)CO[PH+](c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methylpropoxy(diphenyl)phosphanium?
The InChIKey is LLLJRBSJLRYGMM-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19OP/c1-14(2)13-17-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3/p+1.
What are the key properties of 2-methylpropoxy(diphenyl)phosphanium?
2-methylpropoxy(diphenyl)phosphanium has a molecular weight of 259.31 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropoxy(diphenyl)phosphanium is sourced from PubChem (CID 173227705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).