butyl-chloro-(methoxymethyl)-phenylphosphanium

C12H19ClOP+ — CID 89075332

IUPACbutyl-chloro-(methoxymethyl)-phenylphosphanium
SMILESCCCC[P+](Cl)(COC)c1ccccc1
InChIInChI=1S/C12H19ClOP/c1-3-4-10-15(13,11-14-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3/q+1
InChIKeyJARYROIXQILETF-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.89
Rot. Bonds6

About butyl-chloro-(methoxymethyl)-phenylphosphanium

butyl-chloro-(methoxymethyl)-phenylphosphanium (PubChem CID 89075332) has the molecular formula C12H19ClOP+ and a molecular weight of 245.71 g/mol. Its IUPAC name is butyl-chloro-(methoxymethyl)-phenylphosphanium.

Molecular Properties

Compound Namebutyl-chloro-(methoxymethyl)-phenylphosphanium
PubChem CID89075332
Molecular FormulaC12H19ClOP+
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Namebutyl-chloro-(methoxymethyl)-phenylphosphanium
SMILESCCCC[P+](Cl)(COC)c1ccccc1
InChIInChI=1S/C12H19ClOP/c1-3-4-10-15(13,11-14-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3/q+1
InChIKeyJARYROIXQILETF-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-chloro-(methoxymethyl)-phenylphosphanium?
The IUPAC name of butyl-chloro-(methoxymethyl)-phenylphosphanium (CID 89075332) is butyl-chloro-(methoxymethyl)-phenylphosphanium.
What is the SMILES notation for butyl-chloro-(methoxymethyl)-phenylphosphanium?
The canonical SMILES for butyl-chloro-(methoxymethyl)-phenylphosphanium is CCCC[P+](Cl)(COC)c1ccccc1.
What is the InChIKey of butyl-chloro-(methoxymethyl)-phenylphosphanium?
The InChIKey is JARYROIXQILETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClOP/c1-3-4-10-15(13,11-14-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3/q+1.
What are the key properties of butyl-chloro-(methoxymethyl)-phenylphosphanium?
butyl-chloro-(methoxymethyl)-phenylphosphanium has a molecular weight of 245.71 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-chloro-(methoxymethyl)-phenylphosphanium is sourced from PubChem (CID 89075332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).