1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol

C16H20N2O — CID 105080205

IUPAC1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)c2cc(C)nnc2C)cc1
InChIInChI=1S/C16H20N2O/c1-4-13-5-7-14(8-6-13)10-16(19)15-9-11(2)17-18-12(15)3/h5-9,16,19H,4,10H2,1-3H3
InChIKeySVLHOFZOZAEDJA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.93
Rot. Bonds4

About 1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol

1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol (PubChem CID 105080205) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol
PubChem CID105080205
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)c2cc(C)nnc2C)cc1
InChIInChI=1S/C16H20N2O/c1-4-13-5-7-14(8-6-13)10-16(19)15-9-11(2)17-18-12(15)3/h5-9,16,19H,4,10H2,1-3H3
InChIKeySVLHOFZOZAEDJA-UHFFFAOYSA-N
XLogP2.93
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol
CID 105089473
2-(3-chloro-4-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 103043689
1-(3-ethyl-6-methylpyridazin-4-yl)-2-pyridin-4-ylethanol
CID 105108021
2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105133084
2-(2-chloro-5-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 102623179
2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105103223
1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 83091670
1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol
CID 105114625
1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 11491963
1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol
CID 114980726
1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol
CID 105082424
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol
CID 105077949

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol (CID 105080205) is 1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol is CCc1ccc(CC(O)c2cc(C)nnc2C)cc1.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol?
The InChIKey is SVLHOFZOZAEDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-13-5-7-14(8-6-13)10-16(19)15-9-11(2)17-18-12(15)3/h5-9,16,19H,4,10H2,1-3H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol?
1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol has a molecular weight of 256.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol is sourced from PubChem (CID 105080205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).