[(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium

C24H26O2P+ — CID 170905252

IUPAC[(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium
SMILESCC(C)(C)O/C(O)=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25O2P/c1-24(2,3)26-23(25)19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,1-3H3/p+1/b23-19+
InChIKeyZWZUFQPXYVYAFO-FCDQGJHFSA-O
MW377.44 g/mol
LogP5.15
Rot. Bonds5

About [(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium

[(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium (PubChem CID 170905252) has the molecular formula C24H26O2P+ and a molecular weight of 377.44 g/mol. Its IUPAC name is [(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium
PubChem CID170905252
Molecular FormulaC24H26O2P+
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium
SMILESCC(C)(C)O/C(O)=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25O2P/c1-24(2,3)26-23(25)19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,1-3H3/p+1/b23-19+
InChIKeyZWZUFQPXYVYAFO-FCDQGJHFSA-O
XLogP5.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

[(E)-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enyl]-triphenylphosphanium bromide
CID 172710596
(E,3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-1-[(2-methylpropan-2-yl)oxy]-3-phenylprop-1-en-1-ol
CID 10364549
O-tert-butyl benzenecarbothioate
CID 56986939
[(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium
CID 11786312
[1,4-bis[(2-methylpropan-2-yl)oxy]-1,4-dioxobut-2-en-2-yl]-triphenylphosphanium
CID 139231201
[(Z)-2-hydroxy-4-oxo-4-propan-2-yloxybut-1-enyl]-triphenylphosphanium
CID 10644910
tert-butyl N-(phenoxyamino)carbamate
CID 22887615
tert-butyl N-[[(S)-phenyl(piperidin-4-yl)methyl]amino]carbamate
CID 124679381
(Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate
CID 134876072
[(1S)-3-[(2-methylpropan-2-yl)oxy]-3-oxo-1-(phenylmethoxycarbonylamino)propyl]-triphenylphosphanium
CID 57337382
tert-butyl N-(1-phenylethenylamino)carbamate
CID 2692506
tert-butyl 2-benzhydryloxypropanoate
CID 19020212

Frequently Asked Questions

What is the IUPAC name of [(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium?
The IUPAC name of [(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium (CID 170905252) is [(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium.
What is the SMILES notation for [(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium?
The canonical SMILES for [(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium is CC(C)(C)O/C(O)=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium?
The InChIKey is ZWZUFQPXYVYAFO-FCDQGJHFSA-O. The full InChI is InChI=1S/C24H25O2P/c1-24(2,3)26-23(25)19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,1-3H3/p+1/b23-19+.
What are the key properties of [(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium?
[(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium has a molecular weight of 377.44 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium is sourced from PubChem (CID 170905252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).