oxophosphanium;2-phenylethynylbenzene

C14H12OP+ — CID 161111354

IUPACoxophosphanium;2-phenylethynylbenzene
SMILESC(#Cc1ccccc1)c1ccccc1.O=[PH2+]
InChIInChI=1S/C14H10.H2OP/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2/h1-10H;2H2/q;+1
InChIKeyULXGDZQGVVDGMY-UHFFFAOYSA-N
MW227.22 g/mol
LogP3.29
Rot. Bonds

About oxophosphanium;2-phenylethynylbenzene

oxophosphanium;2-phenylethynylbenzene (PubChem CID 161111354) has the molecular formula C14H12OP+ and a molecular weight of 227.22 g/mol. Its IUPAC name is oxophosphanium;2-phenylethynylbenzene.

Molecular Properties

Compound Nameoxophosphanium;2-phenylethynylbenzene
PubChem CID161111354
Molecular FormulaC14H12OP+
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Nameoxophosphanium;2-phenylethynylbenzene
SMILESC(#Cc1ccccc1)c1ccccc1.O=[PH2+]
InChIInChI=1S/C14H10.H2OP/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2/h1-10H;2H2/q;+1
InChIKeyULXGDZQGVVDGMY-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
2-phenylethynylbenzene;sulfur dioxide
CID 175266779
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
carbanide;dioxorhenium;2-phenylethynylbenzene
CID 134981110
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099
12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene
CID 102289282
2-(2-phenylethynyl)azulene
CID 139039957
1-(2-phenylethynyl)-2-[2-[2-[2-[2-(2-phenylethynyl)phenyl]phenyl]ethynyl]phenyl]benzene
CID 134956691
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
1,3,5-trifluoro-2,4,6-tris(2-phenylethynyl)benzene
CID 71374842

Frequently Asked Questions

What is the IUPAC name of oxophosphanium;2-phenylethynylbenzene?
The IUPAC name of oxophosphanium;2-phenylethynylbenzene (CID 161111354) is oxophosphanium;2-phenylethynylbenzene.
What is the SMILES notation for oxophosphanium;2-phenylethynylbenzene?
The canonical SMILES for oxophosphanium;2-phenylethynylbenzene is C(#Cc1ccccc1)c1ccccc1.O=[PH2+].
What is the InChIKey of oxophosphanium;2-phenylethynylbenzene?
The InChIKey is ULXGDZQGVVDGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.H2OP/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2/h1-10H;2H2/q;+1.
What are the key properties of oxophosphanium;2-phenylethynylbenzene?
oxophosphanium;2-phenylethynylbenzene has a molecular weight of 227.22 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxophosphanium;2-phenylethynylbenzene is sourced from PubChem (CID 161111354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).