oxophosphanium;phenoxybenzene

C12H12O2P+ — CID 161329594

IUPACoxophosphanium;phenoxybenzene
SMILESO=[PH2+].c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.H2OP/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2/h1-10H;2H2/q;+1
InChIKeyNVBCTFAMSHWVKI-UHFFFAOYSA-N
MW219.20 g/mol
LogP3.69
Rot. Bonds2

About oxophosphanium;phenoxybenzene

oxophosphanium;phenoxybenzene (PubChem CID 161329594) has the molecular formula C12H12O2P+ and a molecular weight of 219.20 g/mol. Its IUPAC name is oxophosphanium;phenoxybenzene.

Molecular Properties

Compound Nameoxophosphanium;phenoxybenzene
PubChem CID161329594
Molecular FormulaC12H12O2P+
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Nameoxophosphanium;phenoxybenzene
SMILESO=[PH2+].c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.H2OP/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2/h1-10H;2H2/q;+1
InChIKeyNVBCTFAMSHWVKI-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 53.69
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

potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
potassium;hydride;phenoxybenzene
CID 173391576
isocyanic acid;phenoxybenzene
CID 174909585
hydroxy(oxo)phosphanium;phenoxybenzene
CID 162014005
boric acid;phenoxybenzene
CID 66799508
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
tripotassium;phenoxybenzene;phosphate
CID 160692134
azane;phenoxybenzene;sulfuric acid
CID 66973780
ethane;phenoxybenzene;propane
CID 90923491
chlorobenzene;phenoxybenzene
CID 66911253

Frequently Asked Questions

What is the IUPAC name of oxophosphanium;phenoxybenzene?
The IUPAC name of oxophosphanium;phenoxybenzene (CID 161329594) is oxophosphanium;phenoxybenzene.
What is the SMILES notation for oxophosphanium;phenoxybenzene?
The canonical SMILES for oxophosphanium;phenoxybenzene is O=[PH2+].c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of oxophosphanium;phenoxybenzene?
The InChIKey is NVBCTFAMSHWVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.H2OP/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2/h1-10H;2H2/q;+1.
What are the key properties of oxophosphanium;phenoxybenzene?
oxophosphanium;phenoxybenzene has a molecular weight of 219.20 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxophosphanium;phenoxybenzene is sourced from PubChem (CID 161329594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).