bis[1-(2-methylphenyl)ethenoxy]-oxophosphanium

C18H18O3P+ — CID 175025881

IUPACbis[1-(2-methylphenyl)ethenoxy]-oxophosphanium
SMILESC=C(O[P+](=O)OC(=C)c1ccccc1C)c1ccccc1C
InChIInChI=1S/C18H18O3P/c1-13-9-5-7-11-17(13)15(3)20-22(19)21-16(4)18-12-8-6-10-14(18)2/h5-12H,3-4H2,1-2H3/q+1
InChIKeyRRZDBWCGSDXMHA-UHFFFAOYSA-N
MW313.31 g/mol
LogP5.64
Rot. Bonds6

About bis[1-(2-methylphenyl)ethenoxy]-oxophosphanium

bis[1-(2-methylphenyl)ethenoxy]-oxophosphanium (PubChem CID 175025881) has the molecular formula C18H18O3P+ and a molecular weight of 313.31 g/mol. Its IUPAC name is bis[1-(2-methylphenyl)ethenoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[1-(2-methylphenyl)ethenoxy]-oxophosphanium
PubChem CID175025881
Molecular FormulaC18H18O3P+
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Namebis[1-(2-methylphenyl)ethenoxy]-oxophosphanium
SMILESC=C(O[P+](=O)OC(=C)c1ccccc1C)c1ccccc1C
InChIInChI=1S/C18H18O3P/c1-13-9-5-7-11-17(13)15(3)20-22(19)21-16(4)18-12-8-6-10-14(18)2/h5-12H,3-4H2,1-2H3/q+1
InChIKeyRRZDBWCGSDXMHA-UHFFFAOYSA-N
XLogP5.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.31
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-[1-(1-propan-2-yloxyethoxy)ethenyl]benzene
CID 174644853
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
tris(2-methylbenzoyl)sulfanium
CID 142714960
1-(1-diphenylphosphorylethenyl)-2-methylbenzene
CID 135086687
1-(2-methylphenyl)ethenylphosphonic acid
CID 3021132
2-(2-methylphenyl)prop-2-enamide
CID 23202678
dihydroxy(oxo)phosphanium;tris(1,2-xylene)
CID 175961535
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
1-(2-methylphenyl)ethenesulfinate
CID 175121815
2-methylbenzamide;molecular hydrogen
CID 177161283
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
2-methylidene-1-(2-methylphenyl)pent-4-en-1-one
CID 160526359

Frequently Asked Questions

What is the IUPAC name of bis[1-(2-methylphenyl)ethenoxy]-oxophosphanium?
The IUPAC name of bis[1-(2-methylphenyl)ethenoxy]-oxophosphanium (CID 175025881) is bis[1-(2-methylphenyl)ethenoxy]-oxophosphanium.
What is the SMILES notation for bis[1-(2-methylphenyl)ethenoxy]-oxophosphanium?
The canonical SMILES for bis[1-(2-methylphenyl)ethenoxy]-oxophosphanium is C=C(O[P+](=O)OC(=C)c1ccccc1C)c1ccccc1C.
What is the InChIKey of bis[1-(2-methylphenyl)ethenoxy]-oxophosphanium?
The InChIKey is RRZDBWCGSDXMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3P/c1-13-9-5-7-11-17(13)15(3)20-22(19)21-16(4)18-12-8-6-10-14(18)2/h5-12H,3-4H2,1-2H3/q+1.
What are the key properties of bis[1-(2-methylphenyl)ethenoxy]-oxophosphanium?
bis[1-(2-methylphenyl)ethenoxy]-oxophosphanium has a molecular weight of 313.31 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(2-methylphenyl)ethenoxy]-oxophosphanium is sourced from PubChem (CID 175025881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).