1-(4-cyclohexylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone

C19H22NO2+ — CID 8773659

IUPAC1-(4-cyclohexylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone
SMILESO=C(C[n+]1cccc(O)c1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H21NO2/c21-18-7-4-12-20(13-18)14-19(22)17-10-8-16(9-11-17)15-5-2-1-3-6-15/h4,7-13,15H,1-3,5-6,14H2/p+1
InChIKeyBZDPSUFAJYDZLQ-UHFFFAOYSA-O
MW296.39 g/mol
LogP3.61
Rot. Bonds4

About 1-(4-cyclohexylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone

1-(4-cyclohexylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone (PubChem CID 8773659) has the molecular formula C19H22NO2+ and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone
PubChem CID8773659
Molecular FormulaC19H22NO2+
Molecular Weight296.39 g/mol
Exact Mass296.16
IUPAC Name1-(4-cyclohexylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone
SMILESO=C(C[n+]1cccc(O)c1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H21NO2/c21-18-7-4-12-20(13-18)14-19(22)17-10-8-16(9-11-17)15-5-2-1-3-6-15/h4,7-13,15H,1-3,5-6,14H2/p+1
InChIKeyBZDPSUFAJYDZLQ-UHFFFAOYSA-O
XLogP3.61
TPSA41.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone?
The IUPAC name of 1-(4-cyclohexylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone (CID 8773659) is 1-(4-cyclohexylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone?
The canonical SMILES for 1-(4-cyclohexylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone is O=C(C[n+]1cccc(O)c1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone?
The InChIKey is BZDPSUFAJYDZLQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21NO2/c21-18-7-4-12-20(13-18)14-19(22)17-10-8-16(9-11-17)15-5-2-1-3-6-15/h4,7-13,15H,1-3,5-6,14H2/p+1.
What are the key properties of 1-(4-cyclohexylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone?
1-(4-cyclohexylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone has a molecular weight of 296.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone is sourced from PubChem (CID 8773659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).