methyl(phenoxy)phosphane;phenoxy(1-phenoxyphosphanyloxypropan-2-yloxy)phosphane

C22H27O5P3 — CID 91118381

IUPACmethyl(phenoxy)phosphane;phenoxy(1-phenoxyphosphanyloxypropan-2-yloxy)phosphane
SMILESCC(COPOc1ccccc1)OPOc1ccccc1.CPOc1ccccc1
InChIInChI=1S/C15H18O4P2.C7H9OP/c1-13(17-21-19-15-10-6-3-7-11-15)12-16-20-18-14-8-4-2-5-9-14;1-9-8-7-5-3-2-4-6-7/h2-11,13,20-21H,12H2,1H3;2-6,9H,1H3
InChIKeyIRNYGAAITINHRQ-UHFFFAOYSA-N
MW464.38 g/mol
LogP6.87
Rot. Bonds11

About methyl(phenoxy)phosphane;phenoxy(1-phenoxyphosphanyloxypropan-2-yloxy)phosphane

methyl(phenoxy)phosphane;phenoxy(1-phenoxyphosphanyloxypropan-2-yloxy)phosphane (PubChem CID 91118381) has the molecular formula C22H27O5P3 and a molecular weight of 464.38 g/mol. Its IUPAC name is methyl(phenoxy)phosphane;phenoxy(1-phenoxyphosphanyloxypropan-2-yloxy)phosphane.

Molecular Properties

Compound Namemethyl(phenoxy)phosphane;phenoxy(1-phenoxyphosphanyloxypropan-2-yloxy)phosphane
PubChem CID91118381
Molecular FormulaC22H27O5P3
Molecular Weight464.38 g/mol
Exact Mass464.11
IUPAC Namemethyl(phenoxy)phosphane;phenoxy(1-phenoxyphosphanyloxypropan-2-yloxy)phosphane
SMILESCC(COPOc1ccccc1)OPOc1ccccc1.CPOc1ccccc1
InChIInChI=1S/C15H18O4P2.C7H9OP/c1-13(17-21-19-15-10-6-3-7-11-15)12-16-20-18-14-8-4-2-5-9-14;1-9-8-7-5-3-2-4-6-7/h2-11,13,20-21H,12H2,1H3;2-6,9H,1H3
InChIKeyIRNYGAAITINHRQ-UHFFFAOYSA-N
XLogP6.87
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.38
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(phenoxy)phosphane;phenoxy(1-phenoxyphosphanyloxypropan-2-yloxy)phosphane?
The IUPAC name of methyl(phenoxy)phosphane;phenoxy(1-phenoxyphosphanyloxypropan-2-yloxy)phosphane (CID 91118381) is methyl(phenoxy)phosphane;phenoxy(1-phenoxyphosphanyloxypropan-2-yloxy)phosphane.
What is the SMILES notation for methyl(phenoxy)phosphane;phenoxy(1-phenoxyphosphanyloxypropan-2-yloxy)phosphane?
The canonical SMILES for methyl(phenoxy)phosphane;phenoxy(1-phenoxyphosphanyloxypropan-2-yloxy)phosphane is CC(COPOc1ccccc1)OPOc1ccccc1.CPOc1ccccc1.
What is the InChIKey of methyl(phenoxy)phosphane;phenoxy(1-phenoxyphosphanyloxypropan-2-yloxy)phosphane?
The InChIKey is IRNYGAAITINHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4P2.C7H9OP/c1-13(17-21-19-15-10-6-3-7-11-15)12-16-20-18-14-8-4-2-5-9-14;1-9-8-7-5-3-2-4-6-7/h2-11,13,20-21H,12H2,1H3;2-6,9H,1H3.
What are the key properties of methyl(phenoxy)phosphane;phenoxy(1-phenoxyphosphanyloxypropan-2-yloxy)phosphane?
methyl(phenoxy)phosphane;phenoxy(1-phenoxyphosphanyloxypropan-2-yloxy)phosphane has a molecular weight of 464.38 g/mol, XLogP of 6.87, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(phenoxy)phosphane;phenoxy(1-phenoxyphosphanyloxypropan-2-yloxy)phosphane is sourced from PubChem (CID 91118381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).