1-(4-propan-2-ylphenoxy)quinolin-1-ium

C18H18NO+ — CID 139742705

IUPAC1-(4-propan-2-ylphenoxy)quinolin-1-ium
SMILESCC(C)c1ccc(O[n+]2cccc3ccccc32)cc1
InChIInChI=1S/C18H18NO/c1-14(2)15-9-11-17(12-10-15)20-19-13-5-7-16-6-3-4-8-18(16)19/h3-14H,1-2H3/q+1
InChIKeyGJAHNGOUTLYZFH-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.09
Rot. Bonds3

About 1-(4-propan-2-ylphenoxy)quinolin-1-ium

1-(4-propan-2-ylphenoxy)quinolin-1-ium (PubChem CID 139742705) has the molecular formula C18H18NO+ and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenoxy)quinolin-1-ium.

Molecular Properties

Compound Name1-(4-propan-2-ylphenoxy)quinolin-1-ium
PubChem CID139742705
Molecular FormulaC18H18NO+
Molecular Weight264.35 g/mol
Exact Mass264.14
IUPAC Name1-(4-propan-2-ylphenoxy)quinolin-1-ium
SMILESCC(C)c1ccc(O[n+]2cccc3ccccc32)cc1
InChIInChI=1S/C18H18NO/c1-14(2)15-9-11-17(12-10-15)20-19-13-5-7-16-6-3-4-8-18(16)19/h3-14H,1-2H3/q+1
InChIKeyGJAHNGOUTLYZFH-UHFFFAOYSA-N
XLogP4.09
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-phenylethyl)quinolin-1-ium bromide
CID 158799424
1-ethoxy-2-(4-propan-2-ylphenoxy)pyridin-1-ium
CID 139778202
cumene;zinc
CID 159490121
ethane;2-propan-2-ylnaphthalene
CID 142226111
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
methyl-(4-propan-2-ylphenoxy)phosphane
CID 23527570
2-propan-2-ylpentacene
CID 153380535
1-methyl-6-propan-2-ylquinolin-1-ium
CID 2732906
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
1-ethyl-4-(4-propan-2-ylphenoxy)benzene
CID 66612955
cumene
CID 161227923
benzene;cumene
CID 157215889

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenoxy)quinolin-1-ium?
The IUPAC name of 1-(4-propan-2-ylphenoxy)quinolin-1-ium (CID 139742705) is 1-(4-propan-2-ylphenoxy)quinolin-1-ium.
What is the SMILES notation for 1-(4-propan-2-ylphenoxy)quinolin-1-ium?
The canonical SMILES for 1-(4-propan-2-ylphenoxy)quinolin-1-ium is CC(C)c1ccc(O[n+]2cccc3ccccc32)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenoxy)quinolin-1-ium?
The InChIKey is GJAHNGOUTLYZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18NO/c1-14(2)15-9-11-17(12-10-15)20-19-13-5-7-16-6-3-4-8-18(16)19/h3-14H,1-2H3/q+1.
What are the key properties of 1-(4-propan-2-ylphenoxy)quinolin-1-ium?
1-(4-propan-2-ylphenoxy)quinolin-1-ium has a molecular weight of 264.35 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenoxy)quinolin-1-ium is sourced from PubChem (CID 139742705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).