1-ethoxyethenyl(triphenyl)phosphanium

C22H22OP+ — CID 3016976

IUPAC1-ethoxyethenyl(triphenyl)phosphanium
SMILESC=C(OCC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22OP/c1-3-23-19(2)24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,2-3H2,1H3/q+1
InChIKeyJIZMJWKMHIWDGU-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.49
Rot. Bonds6

About 1-ethoxyethenyl(triphenyl)phosphanium

1-ethoxyethenyl(triphenyl)phosphanium (PubChem CID 3016976) has the molecular formula C22H22OP+ and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-ethoxyethenyl(triphenyl)phosphanium.

Molecular Properties

Compound Name1-ethoxyethenyl(triphenyl)phosphanium
PubChem CID3016976
Molecular FormulaC22H22OP+
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name1-ethoxyethenyl(triphenyl)phosphanium
SMILESC=C(OCC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22OP/c1-3-23-19(2)24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,2-3H2,1H3/q+1
InChIKeyJIZMJWKMHIWDGU-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium
CID 23268007
triphenyl(prop-1-en-2-yl)phosphanium bromide
CID 57358625
triphenyl(propoxycarbonyl)phosphanium
CID 155678624
hex-1-en-2-yl(triphenyl)phosphanium
CID 10939905
(1,2-diethoxy-2-oxoethyl)-triphenylphosphanium;hydrochloride
CID 126960654
CID 134882955
CID 134882955
4-ethoxy-3-phenylpent-4-en-1-ol
CID 134979133
ethoxy-dihydroxy-phenylphosphanium
CID 56992947
triphenyl(propoxycarbonyl)phosphanium bromide
CID 159232069
oct-1-en-2-yl(triphenyl)phosphanium
CID 101022395
(1-anilino-3-ethoxy-3-oxoprop-1-en-2-yl)-triphenylphosphanium
CID 102222732
(4-ethoxy-4-oxobutan-2-yl)-triphenylphosphanium
CID 23228193

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethenyl(triphenyl)phosphanium?
The IUPAC name of 1-ethoxyethenyl(triphenyl)phosphanium (CID 3016976) is 1-ethoxyethenyl(triphenyl)phosphanium.
What is the SMILES notation for 1-ethoxyethenyl(triphenyl)phosphanium?
The canonical SMILES for 1-ethoxyethenyl(triphenyl)phosphanium is C=C(OCC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-ethoxyethenyl(triphenyl)phosphanium?
The InChIKey is JIZMJWKMHIWDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22OP/c1-3-23-19(2)24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,2-3H2,1H3/q+1.
What are the key properties of 1-ethoxyethenyl(triphenyl)phosphanium?
1-ethoxyethenyl(triphenyl)phosphanium has a molecular weight of 333.39 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethenyl(triphenyl)phosphanium is sourced from PubChem (CID 3016976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).