tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium

C22H40OP+ — CID 154932101

IUPACtributyl-[3-(2-hydroxyphenyl)butyl]phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCC(C)c1ccccc1O
InChIInChI=1S/C22H39OP/c1-5-8-16-24(17-9-6-2,18-10-7-3)19-15-20(4)21-13-11-12-14-22(21)23/h11-14,20H,5-10,15-19H2,1-4H3/p+1
InChIKeyJGKQACONYXVDGL-UHFFFAOYSA-O
MW351.54 g/mol
LogP7.30
Rot. Bonds13

About tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium

tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium (PubChem CID 154932101) has the molecular formula C22H40OP+ and a molecular weight of 351.54 g/mol. Its IUPAC name is tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium.

Molecular Properties

Compound Nametributyl-[3-(2-hydroxyphenyl)butyl]phosphanium
PubChem CID154932101
Molecular FormulaC22H40OP+
Molecular Weight351.54 g/mol
Exact Mass351.28
IUPAC Nametributyl-[3-(2-hydroxyphenyl)butyl]phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCC(C)c1ccccc1O
InChIInChI=1S/C22H39OP/c1-5-8-16-24(17-9-6-2,18-10-7-3)19-15-20(4)21-13-11-12-14-22(21)23/h11-14,20H,5-10,15-19H2,1-4H3/p+1
InChIKeyJGKQACONYXVDGL-UHFFFAOYSA-O
XLogP7.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.54
LogP ≤ 57.30
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

benzene-1,2-diol;tetrabutylphosphanium;hydroxide
CID 68855891
2-(6-methylheptan-2-yl)phenol
CID 163037790
phenol;tetrabutylphosphanium
CID 20524943
2-(1-phenylpentyl)phenol
CID 19601156
4-hexan-2-ylbenzene-1,3-diol
CID 66695243
2-(4-propylnonan-5-yl)phenol
CID 66866241
2-butan-2-ylphenol;formaldehyde
CID 66765994
2-pentadecan-6-ylphenol
CID 66865451
2,8-bis(2-hydroxyphenyl)nonan-5-one
CID 150620616
2-(2-methyltetradecan-3-yl)phenol
CID 66867142
3-undecan-2-ylbenzene-1,2-diol
CID 139758320
2-(1-fluoropropan-2-yl)phenol
CID 19048051

Frequently Asked Questions

What is the IUPAC name of tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium?
The IUPAC name of tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium (CID 154932101) is tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium.
What is the SMILES notation for tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium?
The canonical SMILES for tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium is CCCC[P+](CCCC)(CCCC)CCC(C)c1ccccc1O.
What is the InChIKey of tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium?
The InChIKey is JGKQACONYXVDGL-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H39OP/c1-5-8-16-24(17-9-6-2,18-10-7-3)19-15-20(4)21-13-11-12-14-22(21)23/h11-14,20H,5-10,15-19H2,1-4H3/p+1.
What are the key properties of tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium?
tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium has a molecular weight of 351.54 g/mol, XLogP of 7.30, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium is sourced from PubChem (CID 154932101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).