dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene

C13H16O3P+ — CID 68581235

IUPACdihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene
SMILESCC(C)c1cccc2ccccc12.O=[P+](O)O
InChIInChI=1S/C13H14.HO3P/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-4(2)3/h3-10H,1-2H3;(H-,1,2,3)/p+1
InChIKeyOQWSHEFHWIULNG-UHFFFAOYSA-O
MW251.24 g/mol
LogP3.59
Rot. Bonds1

About dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene

dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene (PubChem CID 68581235) has the molecular formula C13H16O3P+ and a molecular weight of 251.24 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene
PubChem CID68581235
Molecular FormulaC13H16O3P+
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Namedihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene
SMILESCC(C)c1cccc2ccccc12.O=[P+](O)O
InChIInChI=1S/C13H14.HO3P/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-4(2)3/h3-10H,1-2H3;(H-,1,2,3)/p+1
InChIKeyOQWSHEFHWIULNG-UHFFFAOYSA-O
XLogP3.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
butane;1-propan-2-ylnaphthalene
CID 157253186
1-propan-2-ylphenanthrene
CID 12628671
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
CID 174906138
CID 174906138
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 85312349
3-naphthalen-1-ylbutanoic acid
CID 43211329

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene?
The IUPAC name of dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene (CID 68581235) is dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene.
What is the SMILES notation for dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene?
The canonical SMILES for dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene is CC(C)c1cccc2ccccc12.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene?
The InChIKey is OQWSHEFHWIULNG-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H14.HO3P/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-4(2)3/h3-10H,1-2H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene?
dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene has a molecular weight of 251.24 g/mol, XLogP of 3.59, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene is sourced from PubChem (CID 68581235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).