phenol;triethyl(methyl)azanium

C13H24NO+ — CID 159672401

IUPACphenol;triethyl(methyl)azanium
SMILESCC[N+](C)(CC)CC.Oc1ccccc1
InChIInChI=1S/C7H18N.C6H6O/c1-5-8(4,6-2)7-3;7-6-4-2-1-3-5-6/h5-7H2,1-4H3;1-5,7H/q+1;
InChIKeyMUDXEOLNKUNYCA-UHFFFAOYSA-N
MW210.34 g/mol
LogP2.88
Rot. Bonds3

About phenol;triethyl(methyl)azanium

phenol;triethyl(methyl)azanium (PubChem CID 159672401) has the molecular formula C13H24NO+ and a molecular weight of 210.34 g/mol. Its IUPAC name is phenol;triethyl(methyl)azanium.

Molecular Properties

Compound Namephenol;triethyl(methyl)azanium
PubChem CID159672401
Molecular FormulaC13H24NO+
Molecular Weight210.34 g/mol
Exact Mass210.19
IUPAC Namephenol;triethyl(methyl)azanium
SMILESCC[N+](C)(CC)CC.Oc1ccccc1
InChIInChI=1S/C7H18N.C6H6O/c1-5-8(4,6-2)7-3;7-6-4-2-1-3-5-6/h5-7H2,1-4H3;1-5,7H/q+1;
InChIKeyMUDXEOLNKUNYCA-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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dodecane;phenol
CID 157210063
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CID 159904044

Frequently Asked Questions

What is the IUPAC name of phenol;triethyl(methyl)azanium?
The IUPAC name of phenol;triethyl(methyl)azanium (CID 159672401) is phenol;triethyl(methyl)azanium.
What is the SMILES notation for phenol;triethyl(methyl)azanium?
The canonical SMILES for phenol;triethyl(methyl)azanium is CC[N+](C)(CC)CC.Oc1ccccc1.
What is the InChIKey of phenol;triethyl(methyl)azanium?
The InChIKey is MUDXEOLNKUNYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N.C6H6O/c1-5-8(4,6-2)7-3;7-6-4-2-1-3-5-6/h5-7H2,1-4H3;1-5,7H/q+1;.
What are the key properties of phenol;triethyl(methyl)azanium?
phenol;triethyl(methyl)azanium has a molecular weight of 210.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;triethyl(methyl)azanium is sourced from PubChem (CID 159672401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).