hydroxy-oxo-(1-phenylpentoxy)phosphanium

C11H16O3P+ — CID 90299960

IUPAChydroxy-oxo-(1-phenylpentoxy)phosphanium
SMILESCCCCC(O[P+](=O)O)c1ccccc1
InChIInChI=1S/C11H15O3P/c1-2-3-9-11(14-15(12)13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3/p+1
InChIKeyBAUDENDXLWSVKP-UHFFFAOYSA-O
MW227.22 g/mol
LogP3.58
Rot. Bonds6

About hydroxy-oxo-(1-phenylpentoxy)phosphanium

hydroxy-oxo-(1-phenylpentoxy)phosphanium (PubChem CID 90299960) has the molecular formula C11H16O3P+ and a molecular weight of 227.22 g/mol. Its IUPAC name is hydroxy-oxo-(1-phenylpentoxy)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(1-phenylpentoxy)phosphanium
PubChem CID90299960
Molecular FormulaC11H16O3P+
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Namehydroxy-oxo-(1-phenylpentoxy)phosphanium
SMILESCCCCC(O[P+](=O)O)c1ccccc1
InChIInChI=1S/C11H15O3P/c1-2-3-9-11(14-15(12)13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3/p+1
InChIKeyBAUDENDXLWSVKP-UHFFFAOYSA-O
XLogP3.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-[1-(4-hydroxyphenyl)pentoxy]-oxophosphanium
CID 172778858
[(1S)-1-phenylpentyl] acetate
CID 12651064
1-phenylpentyl formate
CID 54289292
tetrakis(1-phenylpentyl) benzene-1,2,4,5-tetracarboxylate
CID 153322747
dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol
CID 69241764
benzhydryloxy-hydroxy-oxophosphanium
CID 66793238
(1S)-1-phenylpentan-1-ol
CID 6992754
bis(1-phenyloctyl) carbonate
CID 67179048
2-(1-phenylpentoxy)phenol
CID 67179241
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
1-phenylpentyl 2-decyldodecanoate
CID 129279378
1-phenylpentyl 2-hexyloctanoate
CID 129279315

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(1-phenylpentoxy)phosphanium?
The IUPAC name of hydroxy-oxo-(1-phenylpentoxy)phosphanium (CID 90299960) is hydroxy-oxo-(1-phenylpentoxy)phosphanium.
What is the SMILES notation for hydroxy-oxo-(1-phenylpentoxy)phosphanium?
The canonical SMILES for hydroxy-oxo-(1-phenylpentoxy)phosphanium is CCCCC(O[P+](=O)O)c1ccccc1.
What is the InChIKey of hydroxy-oxo-(1-phenylpentoxy)phosphanium?
The InChIKey is BAUDENDXLWSVKP-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15O3P/c1-2-3-9-11(14-15(12)13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3/p+1.
What are the key properties of hydroxy-oxo-(1-phenylpentoxy)phosphanium?
hydroxy-oxo-(1-phenylpentoxy)phosphanium has a molecular weight of 227.22 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(1-phenylpentoxy)phosphanium is sourced from PubChem (CID 90299960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).