[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium

C22H22OP+ — CID 10894920

IUPAC[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium
SMILESOC/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22OP/c23-18-10-11-19-24(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-17,23H,18-19H2/q+1/b11-10+
InChIKeyZQDOVWGYMQDXBR-ZHACJKMWSA-N
MW333.39 g/mol
LogP3.53
Rot. Bonds6

About [(E)-4-hydroxybut-2-enyl]-triphenylphosphanium

[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium (PubChem CID 10894920) has the molecular formula C22H22OP+ and a molecular weight of 333.39 g/mol. Its IUPAC name is [(E)-4-hydroxybut-2-enyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium
PubChem CID10894920
Molecular FormulaC22H22OP+
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium
SMILESOC/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22OP/c23-18-10-11-19-24(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-17,23H,18-19H2/q+1/b11-10+
InChIKeyZQDOVWGYMQDXBR-ZHACJKMWSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium
CID 11283206
[(E)-4-bromobut-2-enyl]-triphenylphosphanium;hydrobromide
CID 20833566
[(E)-but-2-enyl]-triphenylphosphanium iodide
CID 19366382
triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium
CID 101160336
6-chlorohex-2-enyl(triphenyl)phosphanium bromide
CID 174231395
[(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium
CID 13156160
penta-2,4-dienyl(triphenyl)phosphanium bromide
CID 72767674
10-bromodec-2-enyl(triphenyl)phosphanium
CID 174231321
12-iodododec-2-enyl(triphenyl)phosphanium
CID 174231296
[(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium
CID 89336111
hydroxymethyl(triphenyl)phosphanium bromide
CID 18970177
12-bromododec-2-enyl(triphenyl)phosphanium chloride
CID 174231391

Frequently Asked Questions

What is the IUPAC name of [(E)-4-hydroxybut-2-enyl]-triphenylphosphanium?
The IUPAC name of [(E)-4-hydroxybut-2-enyl]-triphenylphosphanium (CID 10894920) is [(E)-4-hydroxybut-2-enyl]-triphenylphosphanium.
What is the SMILES notation for [(E)-4-hydroxybut-2-enyl]-triphenylphosphanium?
The canonical SMILES for [(E)-4-hydroxybut-2-enyl]-triphenylphosphanium is OC/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-4-hydroxybut-2-enyl]-triphenylphosphanium?
The InChIKey is ZQDOVWGYMQDXBR-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H22OP/c23-18-10-11-19-24(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-17,23H,18-19H2/q+1/b11-10+.
What are the key properties of [(E)-4-hydroxybut-2-enyl]-triphenylphosphanium?
[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium has a molecular weight of 333.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-hydroxybut-2-enyl]-triphenylphosphanium is sourced from PubChem (CID 10894920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).