2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol

C15H18N2O2 — CID 103373598

IUPAC2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc(C)c(C)c2)nn1
InChIInChI=1S/C15H18N2O2/c1-10-4-5-12(8-11(10)2)9-14(18)13-6-7-15(19-3)17-16-13/h4-8,14,18H,9H2,1-3H3
InChIKeyNPBGUEHLYKKFLP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.38
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol

2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol (PubChem CID 103373598) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol
PubChem CID103373598
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc(C)c(C)c2)nn1
InChIInChI=1S/C15H18N2O2/c1-10-4-5-12(8-11(10)2)9-14(18)13-6-7-15(19-3)17-16-13/h4-8,14,18H,9H2,1-3H3
InChIKeyNPBGUEHLYKKFLP-UHFFFAOYSA-N
XLogP2.38
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373604
2-(3-chloro-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373442
1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol
CID 79197168
2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373520
1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol
CID 114209890
1-(6-methoxypyridazin-3-yl)pentan-1-ol
CID 103373456
1-(6-methoxypyridazin-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 103373619
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018032
2-(3,4-dimethylphenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220124
2-(3,4-dimethylphenyl)-1-(4-iodophenyl)ethanol
CID 63519463
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373472
1-(6-methoxypyridazin-3-yl)nonan-1-ol
CID 103373545

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol (CID 103373598) is 2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol is COc1ccc(C(O)Cc2ccc(C)c(C)c2)nn1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
The InChIKey is NPBGUEHLYKKFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-4-5-12(8-11(10)2)9-14(18)13-6-7-15(19-3)17-16-13/h4-8,14,18H,9H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol has a molecular weight of 258.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol is sourced from PubChem (CID 103373598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).