4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium

C14H24NO3+ — CID 2582186

IUPAC4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium
SMILESCCOc1cccc(OCCCC[NH2+]CCO)c1
InChIInChI=1S/C14H23NO3/c1-2-17-13-6-5-7-14(12-13)18-11-4-3-8-15-9-10-16/h5-7,12,15-16H,2-4,8-11H2,1H3/p+1
InChIKeyUGDWNWBQVINZQV-UHFFFAOYSA-O
MW254.35 g/mol
LogP0.80
Rot. Bonds10

About 4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium

4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium (PubChem CID 2582186) has the molecular formula C14H24NO3+ and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium
PubChem CID2582186
Molecular FormulaC14H24NO3+
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium
SMILESCCOc1cccc(OCCCC[NH2+]CCO)c1
InChIInChI=1S/C14H23NO3/c1-2-17-13-6-5-7-14(12-13)18-11-4-3-8-15-9-10-16/h5-7,12,15-16H,2-4,8-11H2,1H3/p+1
InChIKeyUGDWNWBQVINZQV-UHFFFAOYSA-O
XLogP0.80
TPSA55.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;1-ethoxy-3-pentoxybenzene
CID 68858003
1-(4-bromobutoxy)-3-ethoxybenzene
CID 62338454
1-(5-chloropentoxy)-3-ethoxybenzene
CID 62338455
butyl-[2-(3-methoxyphenoxy)ethyl]azanium
CID 2262768
4-(4-bromophenoxy)butyl-(2-hydroxyethyl)azanium
CID 2250535
4-(3-methoxyphenoxy)butyl-(2-phenylethyl)azanium
CID 2184628
4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol
CID 126699424
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
1,3-dihexadecoxybenzene
CID 12686834
3-(3-ethoxyphenoxy)-N-ethylpropan-1-amine
CID 62337478
2-[2-(3-bromophenoxy)ethoxy]ethyl-(2-hydroxyethyl)azanium
CID 2299743
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium?
The IUPAC name of 4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium (CID 2582186) is 4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium.
What is the SMILES notation for 4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium?
The canonical SMILES for 4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium is CCOc1cccc(OCCCC[NH2+]CCO)c1.
What is the InChIKey of 4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium?
The InChIKey is UGDWNWBQVINZQV-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23NO3/c1-2-17-13-6-5-7-14(12-13)18-11-4-3-8-15-9-10-16/h5-7,12,15-16H,2-4,8-11H2,1H3/p+1.
What are the key properties of 4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium?
4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium has a molecular weight of 254.35 g/mol, XLogP of 0.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium is sourced from PubChem (CID 2582186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).