dihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene

C9H12O3P+ — CID 175432319

IUPACdihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene
SMILESC=Cc1ccc(C)cc1.O=[P+](O)O
InChIInChI=1S/C9H10.HO3P/c1-3-9-6-4-8(2)5-7-9;1-4(2)3/h3-7H,1H2,2H3;(H-,1,2,3)/p+1
InChIKeyXFKMSTLQJFTGPI-UHFFFAOYSA-O
MW199.17 g/mol
LogP2.27
Rot. Bonds1

About dihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene

dihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene (PubChem CID 175432319) has the molecular formula C9H12O3P+ and a molecular weight of 199.17 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene
PubChem CID175432319
Molecular FormulaC9H12O3P+
Molecular Weight199.17 g/mol
Exact Mass199.05
IUPAC Namedihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene
SMILESC=Cc1ccc(C)cc1.O=[P+](O)O
InChIInChI=1S/C9H10.HO3P/c1-3-9-6-4-8(2)5-7-9;1-4(2)3/h3-7H,1H2,2H3;(H-,1,2,3)/p+1
InChIKeyXFKMSTLQJFTGPI-UHFFFAOYSA-O
XLogP2.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 52.27
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

bis(1-ethenyl-4-methylbenzene);formaldehyde
CID 144930982
CID 174976037
CID 174976037
1-ethenyl-4-methylbenzene;methane
CID 142136023
1-ethenyl-4-methylbenzene;methanamine
CID 23466173
1-(4-ethenylphenyl)-4-(4-methylphenyl)benzene
CID 123748481
dihydroxy(oxo)phosphanium;bis(1,4-xylene)
CID 174402873
1-ethenyl-4-methylbenzene;styrene
CID 159659441
1-ethenyl-4-methylbenzene;2-methylbuta-1,3-diene;2-methylprop-1-ene
CID 159294849
1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene
CID 158777597
(4-ethenylphenyl)-bis(4-methylphenyl)bismuthane
CID 11477443
anthracene;1-ethenyl-4-methylbenzene
CID 174555561
azane;cyclobutane;dihydroxy(oxo)phosphanium;1,4-xylene
CID 67894113

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene?
The IUPAC name of dihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene (CID 175432319) is dihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene.
What is the SMILES notation for dihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene?
The canonical SMILES for dihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene is C=Cc1ccc(C)cc1.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene?
The InChIKey is XFKMSTLQJFTGPI-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H10.HO3P/c1-3-9-6-4-8(2)5-7-9;1-4(2)3/h3-7H,1H2,2H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene?
dihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene has a molecular weight of 199.17 g/mol, XLogP of 2.27, 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-ethenyl-4-methylbenzene is sourced from PubChem (CID 175432319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).