ethyl-(4-methoxyphenoxy)-phenoxy-phenylphosphanium

C21H22O3P+ — CID 175002746

IUPACethyl-(4-methoxyphenoxy)-phenoxy-phenylphosphanium
SMILESCC[P+](Oc1ccccc1)(Oc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C21H22O3P/c1-3-25(21-12-8-5-9-13-21,23-19-10-6-4-7-11-19)24-20-16-14-18(22-2)15-17-20/h4-17H,3H2,1-2H3/q+1
InChIKeyZGAFFPBLJABAET-UHFFFAOYSA-N
MW353.38 g/mol
LogP5.35
Rot. Bonds7

About ethyl-(4-methoxyphenoxy)-phenoxy-phenylphosphanium

ethyl-(4-methoxyphenoxy)-phenoxy-phenylphosphanium (PubChem CID 175002746) has the molecular formula C21H22O3P+ and a molecular weight of 353.38 g/mol. Its IUPAC name is ethyl-(4-methoxyphenoxy)-phenoxy-phenylphosphanium.

Molecular Properties

Compound Nameethyl-(4-methoxyphenoxy)-phenoxy-phenylphosphanium
PubChem CID175002746
Molecular FormulaC21H22O3P+
Molecular Weight353.38 g/mol
Exact Mass353.13
IUPAC Nameethyl-(4-methoxyphenoxy)-phenoxy-phenylphosphanium
SMILESCC[P+](Oc1ccccc1)(Oc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C21H22O3P/c1-3-25(21-12-8-5-9-13-21,23-19-10-6-4-7-11-19)24-20-16-14-18(22-2)15-17-20/h4-17H,3H2,1-2H3/q+1
InChIKeyZGAFFPBLJABAET-UHFFFAOYSA-N
XLogP5.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.38
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

anisole;argon;propane
CID 165043377
anisole;hydrochloride
CID 158800007
anisole;trihydrofluoride
CID 174796385
CID 172685187
CID 172685187
acetylene;anisole
CID 86033716
anisole;ethane;methane;2-methylpropane
CID 159356491
anisole;ethyl(trimethoxy)silane
CID 174632605
anisole;ethane;2-methoxynaphthalene;propane
CID 158674412
anisole;guanidine
CID 172735542
anisole;2-(2-hydroxyethoxy)ethanol
CID 21463823
anisole;1-phenoxyethanol
CID 143208941
anisole;butan-2-one
CID 67379528

Frequently Asked Questions

What is the IUPAC name of ethyl-(4-methoxyphenoxy)-phenoxy-phenylphosphanium?
The IUPAC name of ethyl-(4-methoxyphenoxy)-phenoxy-phenylphosphanium (CID 175002746) is ethyl-(4-methoxyphenoxy)-phenoxy-phenylphosphanium.
What is the SMILES notation for ethyl-(4-methoxyphenoxy)-phenoxy-phenylphosphanium?
The canonical SMILES for ethyl-(4-methoxyphenoxy)-phenoxy-phenylphosphanium is CC[P+](Oc1ccccc1)(Oc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of ethyl-(4-methoxyphenoxy)-phenoxy-phenylphosphanium?
The InChIKey is ZGAFFPBLJABAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O3P/c1-3-25(21-12-8-5-9-13-21,23-19-10-6-4-7-11-19)24-20-16-14-18(22-2)15-17-20/h4-17H,3H2,1-2H3/q+1.
What are the key properties of ethyl-(4-methoxyphenoxy)-phenoxy-phenylphosphanium?
ethyl-(4-methoxyphenoxy)-phenoxy-phenylphosphanium has a molecular weight of 353.38 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(4-methoxyphenoxy)-phenoxy-phenylphosphanium is sourced from PubChem (CID 175002746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).