10-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl]decyl-triphenylphosphanium

C46H52OP+ — CID 134506305

IUPAC10-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl]decyl-triphenylphosphanium
SMILESC=CCc1ccc(O)c(-c2cc(CC=C)ccc2CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C46H51OP/c1-3-22-38-31-33-40(44(36-38)45-37-39(23-4-2)32-34-46(45)47)24-14-9-7-5-6-8-10-21-35-48(41-25-15-11-16-26-41,42-27-17-12-18-28-42)43-29-19-13-20-30-43/h3-4,11-13,15-20,25-34,36-37H,1-2,5-10,14,21-24,35H2/p+1
InChIKeyYYQKGUUJTKRWCA-UHFFFAOYSA-O
MW651.89 g/mol
LogP11.17
Rot. Bonds19

About 10-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl]decyl-triphenylphosphanium

10-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl]decyl-triphenylphosphanium (PubChem CID 134506305) has the molecular formula C46H52OP+ and a molecular weight of 651.89 g/mol. Its IUPAC name is 10-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl]decyl-triphenylphosphanium.

Molecular Properties

Compound Name10-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl]decyl-triphenylphosphanium
PubChem CID134506305
Molecular FormulaC46H52OP+
Molecular Weight651.89 g/mol
Exact Mass651.38
IUPAC Name10-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl]decyl-triphenylphosphanium
SMILESC=CCc1ccc(O)c(-c2cc(CC=C)ccc2CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C46H51OP/c1-3-22-38-31-33-40(44(36-38)45-37-39(23-4-2)32-34-46(45)47)24-14-9-7-5-6-8-10-21-35-48(41-25-15-11-16-26-41,42-27-17-12-18-28-42)43-29-19-13-20-30-43/h3-4,11-13,15-20,25-34,36-37H,1-2,5-10,14,21-24,35H2/p+1
InChIKeyYYQKGUUJTKRWCA-UHFFFAOYSA-O
XLogP11.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.89
LogP ≤ 511.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 159824823
bis(10-bromodecyl(triphenyl)phosphanium);1,10-dibromodecane;2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol;10-[4-(2-hydroxy-5-prop-2-enylphenyl)-2-prop-2-enylphenoxy]decyl-triphenylphosphanium;2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenol;triphenyl-[10-[2-prop-2-enyl-4-(5-prop-2-enyl-2-undecoxyphenyl)phenoxy]decyl]phosphanium;hexabromide
CID 161260000
4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 69470587
2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 157385914
2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol
CID 163721087
triphenyl(undec-10-enyl)phosphanium
CID 3716115
triphenyl(11-phenylundecyl)phosphanium
CID 23583359
10-(2,5-dihydroxy-3,4-dimethylphenyl)decyl-triphenylphosphanium chloride
CID 169438606
oct-7-enyl(triphenyl)phosphanium bromide
CID 22627871
methane;tris(4-chlorophenyl)-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]phosphanium
CID 165020471
2-[2-(10-hydroxydecoxy)-5-prop-2-enylphenyl]-4-prop-2-enylphenol
CID 54509125
4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol
CID 139679162

Frequently Asked Questions

What is the IUPAC name of 10-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl]decyl-triphenylphosphanium?
The IUPAC name of 10-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl]decyl-triphenylphosphanium (CID 134506305) is 10-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl]decyl-triphenylphosphanium.
What is the SMILES notation for 10-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl]decyl-triphenylphosphanium?
The canonical SMILES for 10-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl]decyl-triphenylphosphanium is C=CCc1ccc(O)c(-c2cc(CC=C)ccc2CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 10-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl]decyl-triphenylphosphanium?
The InChIKey is YYQKGUUJTKRWCA-UHFFFAOYSA-O. The full InChI is InChI=1S/C46H51OP/c1-3-22-38-31-33-40(44(36-38)45-37-39(23-4-2)32-34-46(45)47)24-14-9-7-5-6-8-10-21-35-48(41-25-15-11-16-26-41,42-27-17-12-18-28-42)43-29-19-13-20-30-43/h3-4,11-13,15-20,25-34,36-37H,1-2,5-10,14,21-24,35H2/p+1.
What are the key properties of 10-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl]decyl-triphenylphosphanium?
10-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl]decyl-triphenylphosphanium has a molecular weight of 651.89 g/mol, XLogP of 11.17, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl]decyl-triphenylphosphanium is sourced from PubChem (CID 134506305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).