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

C16H19BrN2O2 — CID 105100041

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
SMILESCCc1nnc(C)cc1C(O)Cc1cc(OC)ccc1Br
InChIInChI=1S/C16H19BrN2O2/c1-4-15-13(7-10(2)18-19-15)16(20)9-11-8-12(21-3)5-6-14(11)17/h5-8,16,20H,4,9H2,1-3H3
InChIKeyFRNSHJNBCDDEBN-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.39
Rot. Bonds5

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

2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol (PubChem CID 105100041) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
PubChem CID105100041
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
SMILESCCc1nnc(C)cc1C(O)Cc1cc(OC)ccc1Br
InChIInChI=1S/C16H19BrN2O2/c1-4-15-13(7-10(2)18-19-15)16(20)9-11-8-12(21-3)5-6-14(11)17/h5-8,16,20H,4,9H2,1-3H3
InChIKeyFRNSHJNBCDDEBN-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

2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105082045
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 105125716
(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105096485
1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 66157869
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
CID 107969674
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluorophenyl)ethanol
CID 105077714
2-ethoxy-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105111769
2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol
CID 114853149
1-(3-ethyl-6-methylpyridazin-4-yl)-2-pyridin-4-ylethanol
CID 105108021
1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 65361933
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 105084519
2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105100016

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol (CID 105100041) is 2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol is CCc1nnc(C)cc1C(O)Cc1cc(OC)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
The InChIKey is FRNSHJNBCDDEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-4-15-13(7-10(2)18-19-15)16(20)9-11-8-12(21-3)5-6-14(11)17/h5-8,16,20H,4,9H2,1-3H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
2-(2-bromo-5-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-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol is sourced from PubChem (CID 105100041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).