oxophosphanium;1,3,5-trimethylbenzene

C9H14OP+ — CID 162088075

IUPACoxophosphanium;1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.O=[PH2+]
InChIInChI=1S/C9H12.H2OP/c1-7-4-8(2)6-9(3)5-7;1-2/h4-6H,1-3H3;2H2/q;+1
InChIKeyJPYBHRIWRYDGML-UHFFFAOYSA-N
MW169.18 g/mol
LogP2.82
Rot. Bonds

About oxophosphanium;1,3,5-trimethylbenzene

oxophosphanium;1,3,5-trimethylbenzene (PubChem CID 162088075) has the molecular formula C9H14OP+ and a molecular weight of 169.18 g/mol. Its IUPAC name is oxophosphanium;1,3,5-trimethylbenzene.

Molecular Properties

Compound Nameoxophosphanium;1,3,5-trimethylbenzene
PubChem CID162088075
Molecular FormulaC9H14OP+
Molecular Weight169.18 g/mol
Exact Mass169.08
IUPAC Nameoxophosphanium;1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.O=[PH2+]
InChIInChI=1S/C9H12.H2OP/c1-7-4-8(2)6-9(3)5-7;1-2/h4-6H,1-3H3;2H2/q;+1
InChIKeyJPYBHRIWRYDGML-UHFFFAOYSA-N
XLogP2.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
ethane;1,3,5-trimethylbenzene
CID 91530079
chromium;formaldehyde;1,3,5-trimethylbenzene
CID 15823960
phosphorosomethane;1,3,5-trimethylbenzene
CID 174873264
1,3-dimethyl-5-methylsulfinylbenzene
CID 21060151
formonitrile;1,3,5-trimethylbenzene
CID 174826910
N,N-dimethylmethanamine;1,3,5-trimethylbenzene
CID 160733965
isocyanic acid;1,3,5-trimethylbenzene
CID 88740913
trichlororuthenium;1,3,5-trimethylbenzene
CID 175712088
difluoroxenon;1,3,5-trimethylbenzene
CID 175404691
bis(3,5-dimethylphenyl)methanone
CID 15640171

Frequently Asked Questions

What is the IUPAC name of oxophosphanium;1,3,5-trimethylbenzene?
The IUPAC name of oxophosphanium;1,3,5-trimethylbenzene (CID 162088075) is oxophosphanium;1,3,5-trimethylbenzene.
What is the SMILES notation for oxophosphanium;1,3,5-trimethylbenzene?
The canonical SMILES for oxophosphanium;1,3,5-trimethylbenzene is Cc1cc(C)cc(C)c1.O=[PH2+].
What is the InChIKey of oxophosphanium;1,3,5-trimethylbenzene?
The InChIKey is JPYBHRIWRYDGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.H2OP/c1-7-4-8(2)6-9(3)5-7;1-2/h4-6H,1-3H3;2H2/q;+1.
What are the key properties of oxophosphanium;1,3,5-trimethylbenzene?
oxophosphanium;1,3,5-trimethylbenzene has a molecular weight of 169.18 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxophosphanium;1,3,5-trimethylbenzene is sourced from PubChem (CID 162088075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).