dimethyl(diphenoxy)phosphanium

C14H16O2P+ — CID 118068912

IUPACdimethyl(diphenoxy)phosphanium
SMILESC[P+](C)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H16O2P/c1-17(2,15-13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h3-12H,1-2H3/q+1
InChIKeyYMDZNCCDVJTIOI-UHFFFAOYSA-N
MW247.25 g/mol
LogP4.25
Rot. Bonds4

About dimethyl(diphenoxy)phosphanium

dimethyl(diphenoxy)phosphanium (PubChem CID 118068912) has the molecular formula C14H16O2P+ and a molecular weight of 247.25 g/mol. Its IUPAC name is dimethyl(diphenoxy)phosphanium.

Molecular Properties

Compound Namedimethyl(diphenoxy)phosphanium
PubChem CID118068912
Molecular FormulaC14H16O2P+
Molecular Weight247.25 g/mol
Exact Mass247.09
IUPAC Namedimethyl(diphenoxy)phosphanium
SMILESC[P+](C)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H16O2P/c1-17(2,15-13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h3-12H,1-2H3/q+1
InChIKeyYMDZNCCDVJTIOI-UHFFFAOYSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxyethoxybenzene
CID 18188895
methoxy(triphenoxy)phosphanium
CID 175056731
1-phenoxyethanol
CID 66611531
[(1R)-1-fluoroethoxy]benzene
CID 175733278
1-(1-phenoxyethylperoxy)ethoxybenzene
CID 175523991
trihydroxy(phenoxy)phosphanium
CID 11592959
1-phenoxyethanol;trihydrate
CID 175915128
1,2-dichloropropoxybenzene
CID 118151210
1-phenoxypropane-1,2-diol
CID 22140567
chloroform;1-phenoxyethanol
CID 160851082
anisole;ethane;methane;2-methylpropane
CID 159356491
dichloro-hydroxy-phenoxyphosphanium
CID 23414991

Frequently Asked Questions

What is the IUPAC name of dimethyl(diphenoxy)phosphanium?
The IUPAC name of dimethyl(diphenoxy)phosphanium (CID 118068912) is dimethyl(diphenoxy)phosphanium.
What is the SMILES notation for dimethyl(diphenoxy)phosphanium?
The canonical SMILES for dimethyl(diphenoxy)phosphanium is C[P+](C)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of dimethyl(diphenoxy)phosphanium?
The InChIKey is YMDZNCCDVJTIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2P/c1-17(2,15-13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h3-12H,1-2H3/q+1.
What are the key properties of dimethyl(diphenoxy)phosphanium?
dimethyl(diphenoxy)phosphanium has a molecular weight of 247.25 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(diphenoxy)phosphanium is sourced from PubChem (CID 118068912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).