2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol

C16H19BrN2O2 — CID 105082045

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
SMILESCCc1nnc(C)cc1C(O)Cc1cc(Br)ccc1OC
InChIInChI=1S/C16H19BrN2O2/c1-4-14-13(7-10(2)18-19-14)15(20)9-11-8-12(17)5-6-16(11)21-3/h5-8,15,20H,4,9H2,1-3H3
InChIKeyOGALCCKGALGPIR-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.39
Rot. Bonds5

About 2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol

2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol (PubChem CID 105082045) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
PubChem CID105082045
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
SMILESCCc1nnc(C)cc1C(O)Cc1cc(Br)ccc1OC
InChIInChI=1S/C16H19BrN2O2/c1-4-14-13(7-10(2)18-19-14)15(20)9-11-8-12(17)5-6-16(11)21-3/h5-8,15,20H,4,9H2,1-3H3
InChIKeyOGALCCKGALGPIR-UHFFFAOYSA-N
XLogP3.39
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 105125716
2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105100041
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 105084519
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
2-(5-bromo-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105110402
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol
CID 115779294
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluorophenyl)ethanol
CID 105077714
1-(2-aminophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 64832581
1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947333
1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779284

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol (CID 105082045) is 2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol is CCc1nnc(C)cc1C(O)Cc1cc(Br)ccc1OC.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
The InChIKey is OGALCCKGALGPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-4-14-13(7-10(2)18-19-14)15(20)9-11-8-12(17)5-6-16(11)21-3/h5-8,15,20H,4,9H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol has a molecular weight of 351.24 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol is sourced from PubChem (CID 105082045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).