ethanol;tributyl-(4-ethenylphenyl)phosphanium;chloride

C22H40ClOP — CID 175426903

IUPACethanol;tributyl-(4-ethenylphenyl)phosphanium;chloride
SMILESC=Cc1ccc([P+](CCCC)(CCCC)CCCC)cc1.CCO.[Cl-]
InChIInChI=1S/C20H34P.C2H6O.ClH/c1-5-9-16-21(17-10-6-2,18-11-7-3)20-14-12-19(8-4)13-15-20;1-2-3;/h8,12-15H,4-7,9-11,16-18H2,1-3H3;3H,2H2,1H3;1H/q+1;;/p-1
InChIKeyAISLDHMXSDWADF-UHFFFAOYSA-M
MW386.99 g/mol
LogP3.38
Rot. Bonds11

About ethanol;tributyl-(4-ethenylphenyl)phosphanium;chloride

ethanol;tributyl-(4-ethenylphenyl)phosphanium;chloride (PubChem CID 175426903) has the molecular formula C22H40ClOP and a molecular weight of 386.99 g/mol. Its IUPAC name is ethanol;tributyl-(4-ethenylphenyl)phosphanium;chloride.

Molecular Properties

Compound Nameethanol;tributyl-(4-ethenylphenyl)phosphanium;chloride
PubChem CID175426903
Molecular FormulaC22H40ClOP
Molecular Weight386.99 g/mol
Exact Mass386.25
IUPAC Nameethanol;tributyl-(4-ethenylphenyl)phosphanium;chloride
SMILESC=Cc1ccc([P+](CCCC)(CCCC)CCCC)cc1.CCO.[Cl-]
InChIInChI=1S/C20H34P.C2H6O.ClH/c1-5-9-16-21(17-10-6-2,18-11-7-3)20-14-12-19(8-4)13-15-20;1-2-3;/h8,12-15H,4-7,9-11,16-18H2,1-3H3;3H,2H2,1H3;1H/q+1;;/p-1
InChIKeyAISLDHMXSDWADF-UHFFFAOYSA-M
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.99
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethanol;tributyl-(4-ethenylphenyl)phosphanium;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tributyl-[(4-ethenylphenyl)methyl]phosphanium bromide
CID 22119369
1-chloro-4-ethenylbenzene;ethanol
CID 175389019
tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium
CID 160536967
1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene
CID 70159395
1-ethenyl-4-(4-methylphenyl)benzene;hexane
CID 142178486
1-ethenyl-4-undecoxybenzene
CID 174770051
tributyl-(4-ethenylphenyl)-methyl-λ5-phosphane
CID 173110972
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
1-ethenyl-4-(pentoxymethyl)benzene
CID 12541564
tributyl-[4-(didecylamino)phenyl]phosphanium
CID 151289967

Frequently Asked Questions

What is the IUPAC name of ethanol;tributyl-(4-ethenylphenyl)phosphanium;chloride?
The IUPAC name of ethanol;tributyl-(4-ethenylphenyl)phosphanium;chloride (CID 175426903) is ethanol;tributyl-(4-ethenylphenyl)phosphanium;chloride.
What is the SMILES notation for ethanol;tributyl-(4-ethenylphenyl)phosphanium;chloride?
The canonical SMILES for ethanol;tributyl-(4-ethenylphenyl)phosphanium;chloride is C=Cc1ccc([P+](CCCC)(CCCC)CCCC)cc1.CCO.[Cl-].
What is the InChIKey of ethanol;tributyl-(4-ethenylphenyl)phosphanium;chloride?
The InChIKey is AISLDHMXSDWADF-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H34P.C2H6O.ClH/c1-5-9-16-21(17-10-6-2,18-11-7-3)20-14-12-19(8-4)13-15-20;1-2-3;/h8,12-15H,4-7,9-11,16-18H2,1-3H3;3H,2H2,1H3;1H/q+1;;/p-1.
What are the key properties of ethanol;tributyl-(4-ethenylphenyl)phosphanium;chloride?
ethanol;tributyl-(4-ethenylphenyl)phosphanium;chloride has a molecular weight of 386.99 g/mol, XLogP of 3.38, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;tributyl-(4-ethenylphenyl)phosphanium;chloride is sourced from PubChem (CID 175426903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).