2-[hydroxy-[5-[(4-methoxyphenyl)methoxy]nonoxy]phosphanyl]oxyethyl-trimethylazanium

C22H41NO5P+ — CID 19879111

IUPAC2-[hydroxy-[5-[(4-methoxyphenyl)methoxy]nonoxy]phosphanyl]oxyethyl-trimethylazanium
SMILESCCCCC(CCCCOP(O)OCC[N+](C)(C)C)OCc1ccc(OC)cc1
InChIInChI=1S/C22H41NO5P/c1-6-7-10-22(26-19-20-12-14-21(25-5)15-13-20)11-8-9-17-27-29(24)28-18-16-23(2,3)4/h12-15,22,24H,6-11,16-19H2,1-5H3/q+1
InChIKeyWWPKOLYDEDDQCA-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.90
Rot. Bonds17

About 2-[hydroxy-[5-[(4-methoxyphenyl)methoxy]nonoxy]phosphanyl]oxyethyl-trimethylazanium

2-[hydroxy-[5-[(4-methoxyphenyl)methoxy]nonoxy]phosphanyl]oxyethyl-trimethylazanium (PubChem CID 19879111) has the molecular formula C22H41NO5P+ and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[hydroxy-[5-[(4-methoxyphenyl)methoxy]nonoxy]phosphanyl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[hydroxy-[5-[(4-methoxyphenyl)methoxy]nonoxy]phosphanyl]oxyethyl-trimethylazanium
PubChem CID19879111
Molecular FormulaC22H41NO5P+
Molecular Weight430.55 g/mol
Exact Mass430.27
IUPAC Name2-[hydroxy-[5-[(4-methoxyphenyl)methoxy]nonoxy]phosphanyl]oxyethyl-trimethylazanium
SMILESCCCCC(CCCCOP(O)OCC[N+](C)(C)C)OCc1ccc(OC)cc1
InChIInChI=1S/C22H41NO5P/c1-6-7-10-22(26-19-20-12-14-21(25-5)15-13-20)11-8-9-17-27-29(24)28-18-16-23(2,3)4/h12-15,22,24H,6-11,16-19H2,1-5H3/q+1
InChIKeyWWPKOLYDEDDQCA-UHFFFAOYSA-N
XLogP4.90
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[hydroxy(4-phenylmethoxyoctoxy)phosphanyl]oxyethyl-trimethylazanium
CID 19879084
2-[(4-hexadecoxy-3-phenylmethoxybutoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium
CID 19866536
N,N-diethylethanamine;[(3R)-3-[(4-methoxyphenyl)methoxy]tetradecyl] methanesulfonate
CID 158643956
1-(heptan-2-yloxymethyl)-4-methoxybenzene
CID 142701861
2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
4-phenylmethoxynonadecyl 2-(trimethylazaniumyl)ethyl phosphate
CID 15735677
(5S,7R)-5-hydroxy-1-(4-hydroxyphenyl)-7-[(4-methoxyphenyl)methoxy]icosan-3-one
CID 16741936
1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene
CID 123645301
(Z)-1-[(4-methoxyphenyl)methoxy]oct-1-en-3-ol
CID 10587712
(2S)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]tridecyl]oxirane
CID 10406372
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
2-[(3-hexadecoxy-2-phenylmethoxypropoxy)-hydroxyphosphanyl]oxypropyl-trimethylazanium
CID 19890573

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[5-[(4-methoxyphenyl)methoxy]nonoxy]phosphanyl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[hydroxy-[5-[(4-methoxyphenyl)methoxy]nonoxy]phosphanyl]oxyethyl-trimethylazanium (CID 19879111) is 2-[hydroxy-[5-[(4-methoxyphenyl)methoxy]nonoxy]phosphanyl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[hydroxy-[5-[(4-methoxyphenyl)methoxy]nonoxy]phosphanyl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[hydroxy-[5-[(4-methoxyphenyl)methoxy]nonoxy]phosphanyl]oxyethyl-trimethylazanium is CCCCC(CCCCOP(O)OCC[N+](C)(C)C)OCc1ccc(OC)cc1.
What is the InChIKey of 2-[hydroxy-[5-[(4-methoxyphenyl)methoxy]nonoxy]phosphanyl]oxyethyl-trimethylazanium?
The InChIKey is WWPKOLYDEDDQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO5P/c1-6-7-10-22(26-19-20-12-14-21(25-5)15-13-20)11-8-9-17-27-29(24)28-18-16-23(2,3)4/h12-15,22,24H,6-11,16-19H2,1-5H3/q+1.
What are the key properties of 2-[hydroxy-[5-[(4-methoxyphenyl)methoxy]nonoxy]phosphanyl]oxyethyl-trimethylazanium?
2-[hydroxy-[5-[(4-methoxyphenyl)methoxy]nonoxy]phosphanyl]oxyethyl-trimethylazanium has a molecular weight of 430.55 g/mol, XLogP of 4.90, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[5-[(4-methoxyphenyl)methoxy]nonoxy]phosphanyl]oxyethyl-trimethylazanium is sourced from PubChem (CID 19879111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).