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

C16H19FN2O2 — CID 105125716

IUPAC1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol
SMILESCCc1nnc(C)cc1C(O)Cc1cccc(OC)c1F
InChIInChI=1S/C16H19FN2O2/c1-4-13-12(8-10(2)18-19-13)14(20)9-11-6-5-7-15(21-3)16(11)17/h5-8,14,20H,4,9H2,1-3H3
InChIKeyRMFXALYUVGMDPJ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.77
Rot. Bonds5

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

1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol (PubChem CID 105125716) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol
PubChem CID105125716
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol
SMILESCCc1nnc(C)cc1C(O)Cc1cccc(OC)c1F
InChIInChI=1S/C16H19FN2O2/c1-4-13-12(8-10(2)18-19-13)14(20)9-11-6-5-7-15(21-3)16(11)17/h5-8,14,20H,4,9H2,1-3H3
InChIKeyRMFXALYUVGMDPJ-UHFFFAOYSA-N
XLogP2.77
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluorophenyl)ethanol
CID 105077714
2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105082045
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 105084519
2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105100041
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol
CID 105077949
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832717
1-(4-chloro-2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832813
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
CID 104793572
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 104793076
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832698
(3-ethyl-6-methylpyridazin-4-yl)-(2-methoxyphenyl)methanamine
CID 105093493
1-(3-ethyl-6-methylpyridazin-4-yl)-2-pyridin-4-ylethanol
CID 105108021

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol?
The IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol (CID 105125716) is 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol is CCc1nnc(C)cc1C(O)Cc1cccc(OC)c1F.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol?
The InChIKey is RMFXALYUVGMDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-4-13-12(8-10(2)18-19-13)14(20)9-11-6-5-7-15(21-3)16(11)17/h5-8,14,20H,4,9H2,1-3H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol?
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol has a molecular weight of 290.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol is sourced from PubChem (CID 105125716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).