2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium

C15H24NO3+ — CID 2300047

IUPAC2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium
SMILESC=CCc1cccc(OC)c1OCCC[NH2+]CCO
InChIInChI=1S/C15H23NO3/c1-3-6-13-7-4-8-14(18-2)15(13)19-12-5-9-16-10-11-17/h3-4,7-8,16-17H,1,5-6,9-12H2,2H3/p+1
InChIKeyXMTMRYIVOXRZQI-UHFFFAOYSA-O
MW266.36 g/mol
LogP0.75
Rot. Bonds10

About 2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium

2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium (PubChem CID 2300047) has the molecular formula C15H24NO3+ and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium.

Molecular Properties

Compound Name2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium
PubChem CID2300047
Molecular FormulaC15H24NO3+
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium
SMILESC=CCc1cccc(OC)c1OCCC[NH2+]CCO
InChIInChI=1S/C15H23NO3/c1-3-6-13-7-4-8-14(18-2)15(13)19-12-5-9-16-10-11-17/h3-4,7-8,16-17H,1,5-6,9-12H2,2H3/p+1
InChIKeyXMTMRYIVOXRZQI-UHFFFAOYSA-O
XLogP0.75
TPSA55.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-1-methoxy-3-prop-2-enylbenzene
CID 24770490
1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine
CID 146681529
(3-methoxy-2-nonoxyphenyl)methanol
CID 43471510
1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44522556
3-methoxy-2-[2-(2-prop-2-enylphenoxy)ethoxy]benzenecarbothioamide
CID 22683500
2-(2-methoxyphenoxy)-6-prop-2-enylphenol
CID 22672183
3-(2,6-dimethoxyphenoxy)propyl-[(2S)-2-hydroxypropyl]azanium
CID 2233166
5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 62228603
2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium
CID 2262875
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]ethanol
CID 43471970
3-[(2-heptoxy-3-methoxyphenyl)methylamino]propan-1-ol
CID 54849124
2-(3-methylbutoxy)-1-prop-2-enyl-3-propoxybenzene
CID 24770494

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium?
The IUPAC name of 2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium (CID 2300047) is 2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium.
What is the SMILES notation for 2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium?
The canonical SMILES for 2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium is C=CCc1cccc(OC)c1OCCC[NH2+]CCO.
What is the InChIKey of 2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium?
The InChIKey is XMTMRYIVOXRZQI-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23NO3/c1-3-6-13-7-4-8-14(18-2)15(13)19-12-5-9-16-10-11-17/h3-4,7-8,16-17H,1,5-6,9-12H2,2H3/p+1.
What are the key properties of 2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium?
2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium has a molecular weight of 266.36 g/mol, XLogP of 0.75, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium is sourced from PubChem (CID 2300047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).