6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium

C14H22Cl2NO2+ — CID 2247482

IUPAC6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium
SMILESOCC[NH2+]CCCCCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2NO2/c15-12-5-6-14(13(16)11-12)19-10-4-2-1-3-7-17-8-9-18/h5-6,11,17-18H,1-4,7-10H2/p+1
InChIKeyLOJOHTCWEAWBME-UHFFFAOYSA-O
MW307.24 g/mol
LogP2.49
Rot. Bonds10

About 6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium

6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium (PubChem CID 2247482) has the molecular formula C14H22Cl2NO2+ and a molecular weight of 307.24 g/mol. Its IUPAC name is 6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium
PubChem CID2247482
Molecular FormulaC14H22Cl2NO2+
Molecular Weight307.24 g/mol
Exact Mass306.10
IUPAC Name6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium
SMILESOCC[NH2+]CCCCCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2NO2/c15-12-5-6-14(13(16)11-12)19-10-4-2-1-3-7-17-8-9-18/h5-6,11,17-18H,1-4,7-10H2/p+1
InChIKeyLOJOHTCWEAWBME-UHFFFAOYSA-O
XLogP2.49
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl-[5-(2,4-dichlorophenoxy)pentyl]azanium
CID 2247783
3-(2,5-dichlorophenoxy)propyl-(2-hydroxyethyl)azanium
CID 7460356
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]ethanol
CID 172641394
6-(2-bromo-4-chlorophenoxy)hexan-1-ol
CID 103801828
butyl-[4-(2,5-dichlorophenoxy)butyl]azanium
CID 2261994
2,4-dichloro-1-oct-7-ynoxybenzene
CID 126538407
bis[2-(2,4-dichlorophenoxy)ethyl]-trihydroxy-λ5-phosphane
CID 67683107
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113
tris[2-(2,4-dichlorophenoxy)ethyl]azanium
CID 2317161
1-[6-(2,4-dichlorophenoxy)hexyl]piperidin-1-ium
CID 2247168

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium?
The IUPAC name of 6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium (CID 2247482) is 6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium.
What is the SMILES notation for 6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium?
The canonical SMILES for 6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium is OCC[NH2+]CCCCCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium?
The InChIKey is LOJOHTCWEAWBME-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21Cl2NO2/c15-12-5-6-14(13(16)11-12)19-10-4-2-1-3-7-17-8-9-18/h5-6,11,17-18H,1-4,7-10H2/p+1.
What are the key properties of 6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium?
6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium has a molecular weight of 307.24 g/mol, XLogP of 2.49, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium is sourced from PubChem (CID 2247482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).