1,2,3-trimethylimidazolidin-1-ium phenoxide

C12H20N2O — CID 139681265

IUPAC1,2,3-trimethylimidazolidin-1-ium phenoxide
SMILESCC1N(C)CC[NH+]1C.[O-]c1ccccc1
InChIInChI=1S/C6H14N2.C6H6O/c1-6-7(2)4-5-8(6)3;7-6-4-2-1-3-5-6/h6H,4-5H2,1-3H3;1-5,7H
InChIKeyQTXUZPBVTPNAFF-UHFFFAOYSA-N
MW208.31 g/mol
LogP-0.45
Rot. Bonds

About 1,2,3-trimethylimidazolidin-1-ium phenoxide

1,2,3-trimethylimidazolidin-1-ium phenoxide (PubChem CID 139681265) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1,2,3-trimethylimidazolidin-1-ium phenoxide.

Molecular Properties

Compound Name1,2,3-trimethylimidazolidin-1-ium phenoxide
PubChem CID139681265
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1,2,3-trimethylimidazolidin-1-ium phenoxide
SMILESCC1N(C)CC[NH+]1C.[O-]c1ccccc1
InChIInChI=1S/C6H14N2.C6H6O/c1-6-7(2)4-5-8(6)3;7-6-4-2-1-3-5-6/h6H,4-5H2,1-3H3;1-5,7H
InChIKeyQTXUZPBVTPNAFF-UHFFFAOYSA-N
XLogP-0.45
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethylimidazolidin-1-ium phenoxide?
The IUPAC name of 1,2,3-trimethylimidazolidin-1-ium phenoxide (CID 139681265) is 1,2,3-trimethylimidazolidin-1-ium phenoxide.
What is the SMILES notation for 1,2,3-trimethylimidazolidin-1-ium phenoxide?
The canonical SMILES for 1,2,3-trimethylimidazolidin-1-ium phenoxide is CC1N(C)CC[NH+]1C.[O-]c1ccccc1.
What is the InChIKey of 1,2,3-trimethylimidazolidin-1-ium phenoxide?
The InChIKey is QTXUZPBVTPNAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C6H6O/c1-6-7(2)4-5-8(6)3;7-6-4-2-1-3-5-6/h6H,4-5H2,1-3H3;1-5,7H.
What are the key properties of 1,2,3-trimethylimidazolidin-1-ium phenoxide?
1,2,3-trimethylimidazolidin-1-ium phenoxide has a molecular weight of 208.31 g/mol, XLogP of -0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethylimidazolidin-1-ium phenoxide is sourced from PubChem (CID 139681265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).