[6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol

C17H22N2O2 — CID 61255013

IUPAC[6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol
SMILESCCc1ccc(Oc2ccc(CO)nn2)c(C(C)(C)C)c1
InChIInChI=1S/C17H22N2O2/c1-5-12-6-8-15(14(10-12)17(2,3)4)21-16-9-7-13(11-20)18-19-16/h6-10,20H,5,11H2,1-4H3
InChIKeyKYKDOIZZZXWKKW-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.62
Rot. Bonds4

About [6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol

[6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol (PubChem CID 61255013) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol
PubChem CID61255013
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol
SMILESCCc1ccc(Oc2ccc(CO)nn2)c(C(C)(C)C)c1
InChIInChI=1S/C17H22N2O2/c1-5-12-6-8-15(14(10-12)17(2,3)4)21-16-9-7-13(11-20)18-19-16/h6-10,20H,5,11H2,1-4H3
InChIKeyKYKDOIZZZXWKKW-UHFFFAOYSA-N
XLogP3.62
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-tert-butyl-4-ethylphenoxy)pyrazin-2-amine
CID 80663583
4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine
CID 63504492
6-(2-tert-butyl-4-ethylphenoxy)pyrimidine-2,4-diamine
CID 80866692
4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine
CID 80862418
[6-(2-tert-butyl-4-ethylphenoxy)pyrazin-2-yl]hydrazine
CID 80909040
2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole
CID 64625478
4-(2-tert-butyl-4-ethylphenoxy)-3-iodoaniline
CID 66093586
4-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)butan-1-ol
CID 64804920
[6-[(2-methylpropan-2-yl)oxy]pyridazin-3-yl]methanol
CID 61257369
3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64804713
6-(2-tert-butyl-4-ethylphenoxy)-5-methylpyridin-3-amine
CID 63458814
4-(2-tert-butyl-4-ethylphenoxy)benzonitrile
CID 20989459

Frequently Asked Questions

What is the IUPAC name of [6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol?
The IUPAC name of [6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol (CID 61255013) is [6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol.
What is the SMILES notation for [6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol?
The canonical SMILES for [6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol is CCc1ccc(Oc2ccc(CO)nn2)c(C(C)(C)C)c1.
What is the InChIKey of [6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol?
The InChIKey is KYKDOIZZZXWKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-12-6-8-15(14(10-12)17(2,3)4)21-16-9-7-13(11-20)18-19-16/h6-10,20H,5,11H2,1-4H3.
What are the key properties of [6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol?
[6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol has a molecular weight of 286.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-tert-butyl-4-ethylphenoxy)pyridazin-3-yl]methanol is sourced from PubChem (CID 61255013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).