methyl-oxo-(4-phenylphenoxy)phosphanium

C13H12O2P+ — CID 164967000

IUPACmethyl-oxo-(4-phenylphenoxy)phosphanium
SMILESC[P+](=O)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12O2P/c1-16(14)15-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1
InChIKeyYJDXDVIWELAATK-UHFFFAOYSA-N
MW231.21 g/mol
LogP4.10
Rot. Bonds3

About methyl-oxo-(4-phenylphenoxy)phosphanium

methyl-oxo-(4-phenylphenoxy)phosphanium (PubChem CID 164967000) has the molecular formula C13H12O2P+ and a molecular weight of 231.21 g/mol. Its IUPAC name is methyl-oxo-(4-phenylphenoxy)phosphanium.

Molecular Properties

Compound Namemethyl-oxo-(4-phenylphenoxy)phosphanium
PubChem CID164967000
Molecular FormulaC13H12O2P+
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Namemethyl-oxo-(4-phenylphenoxy)phosphanium
SMILESC[P+](=O)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12O2P/c1-16(14)15-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1
InChIKeyYJDXDVIWELAATK-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 54.10
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 methyl-oxo-(4-phenylphenoxy)phosphanium?
The IUPAC name of methyl-oxo-(4-phenylphenoxy)phosphanium (CID 164967000) is methyl-oxo-(4-phenylphenoxy)phosphanium.
What is the SMILES notation for methyl-oxo-(4-phenylphenoxy)phosphanium?
The canonical SMILES for methyl-oxo-(4-phenylphenoxy)phosphanium is C[P+](=O)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl-oxo-(4-phenylphenoxy)phosphanium?
The InChIKey is YJDXDVIWELAATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2P/c1-16(14)15-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1.
What are the key properties of methyl-oxo-(4-phenylphenoxy)phosphanium?
methyl-oxo-(4-phenylphenoxy)phosphanium has a molecular weight of 231.21 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-oxo-(4-phenylphenoxy)phosphanium is sourced from PubChem (CID 164967000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).