2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium

C18H14O2P+ — CID 101355568

IUPAC2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium
SMILESc1ccc([P+]2(c3ccccc3)Oc3ccccc3O2)cc1
InChIInChI=1S/C18H14O2P/c1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)20-21/h1-14H/q+1
InChIKeyBZHBAESYIWIXAI-UHFFFAOYSA-N
MW293.28 g/mol
LogP3.96
Rot. Bonds2

About 2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium

2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium (PubChem CID 101355568) has the molecular formula C18H14O2P+ and a molecular weight of 293.28 g/mol. Its IUPAC name is 2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium.

Molecular Properties

Compound Name2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium
PubChem CID101355568
Molecular FormulaC18H14O2P+
Molecular Weight293.28 g/mol
Exact Mass293.07
IUPAC Name2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium
SMILESc1ccc([P+]2(c3ccccc3)Oc3ccccc3O2)cc1
InChIInChI=1S/C18H14O2P/c1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)20-21/h1-14H/q+1
InChIKeyBZHBAESYIWIXAI-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 53.96
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

spiro[1,3,2-benzodioxaphosphol-2-ium-2,5'-benzo[b]phosphindol-5-ium]
CID 102464447
CID 132539732
CID 132539732
10,10,12,12-tetraphenyl-11H-benzo[d][6,1,3]benzoxadiphosphocine-10,12-diium
CID 88535368
benzene;1,3-benzodioxole
CID 158998325
7-oxabicyclo[4.1.0]hepta-1,3,5-triene;sulfane
CID 174614993
9H-xanthen-9-ylazanium
CID 51652356
1,1,3,3-tetraphenyl-2H-1,3-benzodiphosphole-1,3-diium diiodide
CID 139150100
(2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol
CID 853425
(1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine
CID 10534823
1,4-benzodioxine
CID 158348476
benzene-1,2-diol;hydrogen peroxide
CID 22924348
cyclodeca-2,4,6,8,10-pentaene-1,2-diol
CID 143742281

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium?
The IUPAC name of 2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium (CID 101355568) is 2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium.
What is the SMILES notation for 2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium?
The canonical SMILES for 2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium is c1ccc([P+]2(c3ccccc3)Oc3ccccc3O2)cc1.
What is the InChIKey of 2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium?
The InChIKey is BZHBAESYIWIXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2P/c1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)20-21/h1-14H/q+1.
What are the key properties of 2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium?
2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium has a molecular weight of 293.28 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1,3,2-benzodioxaphosphol-2-ium is sourced from PubChem (CID 101355568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).