ethanolate;(2-phenoxyphenyl)-triphenylphosphanium

C32H29O2P — CID 18356110

IUPACethanolate;(2-phenoxyphenyl)-triphenylphosphanium
SMILESCC[O-].c1ccc(Oc2ccccc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24OP.C2H5O/c1-5-15-25(16-6-1)31-29-23-13-14-24-30(29)32(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-2-3/h1-24H;2H2,1H3/q+1;-1
InChIKeyVUQYOLZZJIZOEZ-UHFFFAOYSA-N
MW476.56 g/mol
LogP5.46
Rot. Bonds6

About ethanolate;(2-phenoxyphenyl)-triphenylphosphanium

ethanolate;(2-phenoxyphenyl)-triphenylphosphanium (PubChem CID 18356110) has the molecular formula C32H29O2P and a molecular weight of 476.56 g/mol. Its IUPAC name is ethanolate;(2-phenoxyphenyl)-triphenylphosphanium.

Molecular Properties

Compound Nameethanolate;(2-phenoxyphenyl)-triphenylphosphanium
PubChem CID18356110
Molecular FormulaC32H29O2P
Molecular Weight476.56 g/mol
Exact Mass476.19
IUPAC Nameethanolate;(2-phenoxyphenyl)-triphenylphosphanium
SMILESCC[O-].c1ccc(Oc2ccccc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24OP.C2H5O/c1-5-15-25(16-6-1)31-29-23-13-14-24-30(29)32(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-2-3/h1-24H;2H2,1H3/q+1;-1
InChIKeyVUQYOLZZJIZOEZ-UHFFFAOYSA-N
XLogP5.46
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.56
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanolate;(2-phenoxyphenyl)-triphenylphosphanium?
The IUPAC name of ethanolate;(2-phenoxyphenyl)-triphenylphosphanium (CID 18356110) is ethanolate;(2-phenoxyphenyl)-triphenylphosphanium.
What is the SMILES notation for ethanolate;(2-phenoxyphenyl)-triphenylphosphanium?
The canonical SMILES for ethanolate;(2-phenoxyphenyl)-triphenylphosphanium is CC[O-].c1ccc(Oc2ccccc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of ethanolate;(2-phenoxyphenyl)-triphenylphosphanium?
The InChIKey is VUQYOLZZJIZOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24OP.C2H5O/c1-5-15-25(16-6-1)31-29-23-13-14-24-30(29)32(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-2-3/h1-24H;2H2,1H3/q+1;-1.
What are the key properties of ethanolate;(2-phenoxyphenyl)-triphenylphosphanium?
ethanolate;(2-phenoxyphenyl)-triphenylphosphanium has a molecular weight of 476.56 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;(2-phenoxyphenyl)-triphenylphosphanium is sourced from PubChem (CID 18356110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).