trichloro-[(1E,3E)-2-chloro-4-phenylbuta-1,3-dienyl]phosphanium

C10H8Cl4P+ — CID 11353285

IUPACtrichloro-[(1E,3E)-2-chloro-4-phenylbuta-1,3-dienyl]phosphanium
SMILESClC(/C=C/c1ccccc1)=C/[P+](Cl)(Cl)Cl
InChIInChI=1S/C10H8Cl4P/c11-10(8-15(12,13)14)7-6-9-4-2-1-3-5-9/h1-8H/q+1/b7-6+,10-8+
InChIKeyVXXPSPNGPDVLGR-LQPGMRSMSA-N
MW300.96 g/mol
LogP6.26
Rot. Bonds3

About trichloro-[(1E,3E)-2-chloro-4-phenylbuta-1,3-dienyl]phosphanium

trichloro-[(1E,3E)-2-chloro-4-phenylbuta-1,3-dienyl]phosphanium (PubChem CID 11353285) has the molecular formula C10H8Cl4P+ and a molecular weight of 300.96 g/mol. Its IUPAC name is trichloro-[(1E,3E)-2-chloro-4-phenylbuta-1,3-dienyl]phosphanium.

Molecular Properties

Compound Nametrichloro-[(1E,3E)-2-chloro-4-phenylbuta-1,3-dienyl]phosphanium
PubChem CID11353285
Molecular FormulaC10H8Cl4P+
Molecular Weight300.96 g/mol
Exact Mass298.91
IUPAC Nametrichloro-[(1E,3E)-2-chloro-4-phenylbuta-1,3-dienyl]phosphanium
SMILESClC(/C=C/c1ccccc1)=C/[P+](Cl)(Cl)Cl
InChIInChI=1S/C10H8Cl4P/c11-10(8-15(12,13)14)7-6-9-4-2-1-3-5-9/h1-8H/q+1/b7-6+,10-8+
InChIKeyVXXPSPNGPDVLGR-LQPGMRSMSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.96
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium
CID 24983555
chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)
CID 102565376
[(1E,3E)-3-chloro-4-dichlorophosphorylbuta-1,3-dienyl]benzene
CID 11243005
(Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride
CID 90280186
(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
CID 53441080
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
[(1E,3Z)-4-bromo-4-chloro-3-methylbuta-1,3-dienyl]benzene
CID 102383415
2-chloro-3-oxo-5-phenylpent-4-enenitrile
CID 176654493
[(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene
CID 11680420
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
azane;3-phenylprop-2-enoic acid
CID 66894546

Frequently Asked Questions

What is the IUPAC name of trichloro-[(1E,3E)-2-chloro-4-phenylbuta-1,3-dienyl]phosphanium?
The IUPAC name of trichloro-[(1E,3E)-2-chloro-4-phenylbuta-1,3-dienyl]phosphanium (CID 11353285) is trichloro-[(1E,3E)-2-chloro-4-phenylbuta-1,3-dienyl]phosphanium.
What is the SMILES notation for trichloro-[(1E,3E)-2-chloro-4-phenylbuta-1,3-dienyl]phosphanium?
The canonical SMILES for trichloro-[(1E,3E)-2-chloro-4-phenylbuta-1,3-dienyl]phosphanium is ClC(/C=C/c1ccccc1)=C/[P+](Cl)(Cl)Cl.
What is the InChIKey of trichloro-[(1E,3E)-2-chloro-4-phenylbuta-1,3-dienyl]phosphanium?
The InChIKey is VXXPSPNGPDVLGR-LQPGMRSMSA-N. The full InChI is InChI=1S/C10H8Cl4P/c11-10(8-15(12,13)14)7-6-9-4-2-1-3-5-9/h1-8H/q+1/b7-6+,10-8+.
What are the key properties of trichloro-[(1E,3E)-2-chloro-4-phenylbuta-1,3-dienyl]phosphanium?
trichloro-[(1E,3E)-2-chloro-4-phenylbuta-1,3-dienyl]phosphanium has a molecular weight of 300.96 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[(1E,3E)-2-chloro-4-phenylbuta-1,3-dienyl]phosphanium is sourced from PubChem (CID 11353285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).