(2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium

C14H24NO3+ — CID 155656966

IUPAC(2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium
SMILESCOCC(O)C[N+](C)(C)CCOc1ccccc1
InChIInChI=1S/C14H24NO3/c1-15(2,11-13(16)12-17-3)9-10-18-14-7-5-4-6-8-14/h4-8,13,16H,9-12H2,1-3H3/q+1
InChIKeyIPRUSCKIJLESEX-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.15
Rot. Bonds8

About (2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium

(2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium (PubChem CID 155656966) has the molecular formula C14H24NO3+ and a molecular weight of 254.35 g/mol. Its IUPAC name is (2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium.

Molecular Properties

Compound Name(2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium
PubChem CID155656966
Molecular FormulaC14H24NO3+
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name(2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium
SMILESCOCC(O)C[N+](C)(C)CCOc1ccccc1
InChIInChI=1S/C14H24NO3/c1-15(2,11-13(16)12-17-3)9-10-18-14-7-5-4-6-8-14/h4-8,13,16H,9-12H2,1-3H3/q+1
InChIKeyIPRUSCKIJLESEX-UHFFFAOYSA-N
XLogP1.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-3-[4-(2-hydroxy-3-methoxypropoxy)butoxy]propyl]-dimethyl-(2-phenoxyethyl)azanium
CID 155656961
disodium;2-(chloromethyl)oxirane;N,N-dimethyl-2-phenoxyethanamine;(2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium;methanol;2-(methoxymethyl)oxirane;dihydroxide
CID 160963045
ethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane
CID 91084100
1,5-diphenoxypentan-3-ol
CID 5314309
N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide
CID 103876749
(3R)-1-phenoxyhexan-3-ol
CID 102063151
(4-bromo-5-methoxypentoxy)benzene
CID 62320030
dodecyl-dimethyl-(2-phenoxyethyl)azanium fluoride
CID 25008457
dimethyl-(2-phenoxyethyl)-tetradecylazanium bromide
CID 175368391
ethane;1-phenoxypropan-2-ol
CID 90926921
benzyl-[2-hydroxy-3-(4-phenylphenoxy)propyl]-dimethylazanium
CID 91670455
[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-trimethylazanium
CID 51859248

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium?
The IUPAC name of (2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium (CID 155656966) is (2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium.
What is the SMILES notation for (2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium?
The canonical SMILES for (2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium is COCC(O)C[N+](C)(C)CCOc1ccccc1.
What is the InChIKey of (2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium?
The InChIKey is IPRUSCKIJLESEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24NO3/c1-15(2,11-13(16)12-17-3)9-10-18-14-7-5-4-6-8-14/h4-8,13,16H,9-12H2,1-3H3/q+1.
What are the key properties of (2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium?
(2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium has a molecular weight of 254.35 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium is sourced from PubChem (CID 155656966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).