dicyclopropyloxy-methyl-phenylphosphanium

C13H18O2P+ — CID 69052333

IUPACdicyclopropyloxy-methyl-phenylphosphanium
SMILESC[P+](OC1CC1)(OC1CC1)c1ccccc1
InChIInChI=1S/C13H18O2P/c1-16(14-11-7-8-11,15-12-9-10-12)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3/q+1
InChIKeyAOWYNDWVVXWFGP-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.15
Rot. Bonds5

About dicyclopropyloxy-methyl-phenylphosphanium

dicyclopropyloxy-methyl-phenylphosphanium (PubChem CID 69052333) has the molecular formula C13H18O2P+ and a molecular weight of 237.26 g/mol. Its IUPAC name is dicyclopropyloxy-methyl-phenylphosphanium.

Molecular Properties

Compound Namedicyclopropyloxy-methyl-phenylphosphanium
PubChem CID69052333
Molecular FormulaC13H18O2P+
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Namedicyclopropyloxy-methyl-phenylphosphanium
SMILESC[P+](OC1CC1)(OC1CC1)c1ccccc1
InChIInChI=1S/C13H18O2P/c1-16(14-11-7-8-11,15-12-9-10-12)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3/q+1
InChIKeyAOWYNDWVVXWFGP-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclopropyloxy-methyl-phenylphosphanium?
The IUPAC name of dicyclopropyloxy-methyl-phenylphosphanium (CID 69052333) is dicyclopropyloxy-methyl-phenylphosphanium.
What is the SMILES notation for dicyclopropyloxy-methyl-phenylphosphanium?
The canonical SMILES for dicyclopropyloxy-methyl-phenylphosphanium is C[P+](OC1CC1)(OC1CC1)c1ccccc1.
What is the InChIKey of dicyclopropyloxy-methyl-phenylphosphanium?
The InChIKey is AOWYNDWVVXWFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2P/c1-16(14-11-7-8-11,15-12-9-10-12)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3/q+1.
What are the key properties of dicyclopropyloxy-methyl-phenylphosphanium?
dicyclopropyloxy-methyl-phenylphosphanium has a molecular weight of 237.26 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopropyloxy-methyl-phenylphosphanium is sourced from PubChem (CID 69052333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).