3,3-diphenyl-1,3-oxaphospholan-3-ium-5-one

C15H14O2P+ — CID 158899856

IUPAC3,3-diphenyl-1,3-oxaphospholan-3-ium-5-one
SMILESO=C1C[P+](c2ccccc2)(c2ccccc2)CO1
InChIInChI=1S/C15H14O2P/c16-15-11-18(12-17-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2/q+1
InChIKeyNPRTUGQWMOKFKE-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.17
Rot. Bonds2

About 3,3-diphenyl-1,3-oxaphospholan-3-ium-5-one

3,3-diphenyl-1,3-oxaphospholan-3-ium-5-one (PubChem CID 158899856) has the molecular formula C15H14O2P+ and a molecular weight of 257.25 g/mol. Its IUPAC name is 3,3-diphenyl-1,3-oxaphospholan-3-ium-5-one.

Molecular Properties

Compound Name3,3-diphenyl-1,3-oxaphospholan-3-ium-5-one
PubChem CID158899856
Molecular FormulaC15H14O2P+
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name3,3-diphenyl-1,3-oxaphospholan-3-ium-5-one
SMILESO=C1C[P+](c2ccccc2)(c2ccccc2)CO1
InChIInChI=1S/C15H14O2P/c16-15-11-18(12-17-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2/q+1
InChIKeyNPRTUGQWMOKFKE-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.17
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

8-phenyl-3,5-dihydro-[1,3,2]oxazaphospholo[2,3-b][1,3,2]oxazaphosphol-8-ium-2,6-dione
CID 10900713
9,10,19,20,21,22,23,24-octachloro-3,3,6,6,13,13,16,16-octakis-phenyl-3,6,13,16-tetraphosphoniatricyclo[16.2.2.28,11]tetracosa-1(20),8(24),9,11(23),18,21-hexaene
CID 6333574
2-(2-nitrophenyl)-1,3-dioxane-4,6-dione
CID 166773370
2-phenyl-1,3-dioxane-4,6-dione;silane
CID 157111906
(5S)-5-phenyl-1,4-dioxan-2-one
CID 101083967
(5R,6R)-6-hydroxy-5,6-diphenyl-1,4-oxathiocan-8-one
CID 10734047
2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium
CID 12525360
(4S)-4-phenyloxolane-2,3-dione
CID 129383036
(2E)-2-benzylidene-1,3-oxazolidin-5-one
CID 70400530
(3R,4S)-3,4-dibenzyloxolan-2-one
CID 14546898
(4S)-5-phenyl-1-sulfanylidene-2-oxa-5-aza-1λ5-phosphabicyclo[2.1.0]pentan-3-one
CID 70227156
(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid
CID 825874

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1,3-oxaphospholan-3-ium-5-one?
The IUPAC name of 3,3-diphenyl-1,3-oxaphospholan-3-ium-5-one (CID 158899856) is 3,3-diphenyl-1,3-oxaphospholan-3-ium-5-one.
What is the SMILES notation for 3,3-diphenyl-1,3-oxaphospholan-3-ium-5-one?
The canonical SMILES for 3,3-diphenyl-1,3-oxaphospholan-3-ium-5-one is O=C1C[P+](c2ccccc2)(c2ccccc2)CO1.
What is the InChIKey of 3,3-diphenyl-1,3-oxaphospholan-3-ium-5-one?
The InChIKey is NPRTUGQWMOKFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2P/c16-15-11-18(12-17-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2/q+1.
What are the key properties of 3,3-diphenyl-1,3-oxaphospholan-3-ium-5-one?
3,3-diphenyl-1,3-oxaphospholan-3-ium-5-one has a molecular weight of 257.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-1,3-oxaphospholan-3-ium-5-one is sourced from PubChem (CID 158899856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).