4-hydroxybut-1-en-2-yl(triphenyl)phosphanium

C22H22OP+ — CID 101022398

IUPAC4-hydroxybut-1-en-2-yl(triphenyl)phosphanium
SMILESC=C(CCO)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22OP/c1-19(17-18-23)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,23H,1,17-18H2/q+1
InChIKeyYQKXDUMSWXWVMS-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.88
Rot. Bonds6

About 4-hydroxybut-1-en-2-yl(triphenyl)phosphanium

4-hydroxybut-1-en-2-yl(triphenyl)phosphanium (PubChem CID 101022398) has the molecular formula C22H22OP+ and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-hydroxybut-1-en-2-yl(triphenyl)phosphanium.

Molecular Properties

Compound Name4-hydroxybut-1-en-2-yl(triphenyl)phosphanium
PubChem CID101022398
Molecular FormulaC22H22OP+
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name4-hydroxybut-1-en-2-yl(triphenyl)phosphanium
SMILESC=C(CCO)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22OP/c1-19(17-18-23)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,23H,1,17-18H2/q+1
InChIKeyYQKXDUMSWXWVMS-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hex-1-en-2-yl(triphenyl)phosphanium
CID 10939905
oct-1-en-2-yl(triphenyl)phosphanium
CID 101022395
triphenyl(prop-1-en-2-yl)phosphanium bromide
CID 57358625
1-ethoxyethenyl(triphenyl)phosphanium
CID 3016976
3-benzylbut-3-en-1-ol
CID 22764430
2-hydroxyprop-2-enyl(triphenyl)phosphanium
CID 87987805
triphenyl(1-sulfinoethenyl)phosphanium
CID 174945086
2-hydroxyethyl(triphenyl)phosphanium bromide
CID 2733550
bis(hydroxymethyl)-diphenylphosphanium chloride
CID 2784100
hydroxymethyl(triphenyl)phosphanium bromide
CID 18970177
[(3E)-5-methoxypenta-1,3-dien-2-yl]-triphenylphosphanium
CID 102099076
hydroxy-[4-(hydroxymethyl)phenyl]-diphenylphosphanium
CID 129303936

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybut-1-en-2-yl(triphenyl)phosphanium?
The IUPAC name of 4-hydroxybut-1-en-2-yl(triphenyl)phosphanium (CID 101022398) is 4-hydroxybut-1-en-2-yl(triphenyl)phosphanium.
What is the SMILES notation for 4-hydroxybut-1-en-2-yl(triphenyl)phosphanium?
The canonical SMILES for 4-hydroxybut-1-en-2-yl(triphenyl)phosphanium is C=C(CCO)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-hydroxybut-1-en-2-yl(triphenyl)phosphanium?
The InChIKey is YQKXDUMSWXWVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22OP/c1-19(17-18-23)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,23H,1,17-18H2/q+1.
What are the key properties of 4-hydroxybut-1-en-2-yl(triphenyl)phosphanium?
4-hydroxybut-1-en-2-yl(triphenyl)phosphanium has a molecular weight of 333.39 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybut-1-en-2-yl(triphenyl)phosphanium is sourced from PubChem (CID 101022398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).