[6-(3-methyl-4-propan-2-ylphenoxy)pyridazin-3-yl]methanol

C15H18N2O2 — CID 61257121

IUPAC[6-(3-methyl-4-propan-2-ylphenoxy)pyridazin-3-yl]methanol
SMILESCc1cc(Oc2ccc(CO)nn2)ccc1C(C)C
InChIInChI=1S/C15H18N2O2/c1-10(2)14-6-5-13(8-11(14)3)19-15-7-4-12(9-18)16-17-15/h4-8,10,18H,9H2,1-3H3
InChIKeyOZDRZLLVEFVZRS-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.19
Rot. Bonds4

About [6-(3-methyl-4-propan-2-ylphenoxy)pyridazin-3-yl]methanol

[6-(3-methyl-4-propan-2-ylphenoxy)pyridazin-3-yl]methanol (PubChem CID 61257121) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [6-(3-methyl-4-propan-2-ylphenoxy)pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(3-methyl-4-propan-2-ylphenoxy)pyridazin-3-yl]methanol
PubChem CID61257121
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[6-(3-methyl-4-propan-2-ylphenoxy)pyridazin-3-yl]methanol
SMILESCc1cc(Oc2ccc(CO)nn2)ccc1C(C)C
InChIInChI=1S/C15H18N2O2/c1-10(2)14-6-5-13(8-11(14)3)19-15-7-4-12(9-18)16-17-15/h4-8,10,18H,9H2,1-3H3
InChIKeyOZDRZLLVEFVZRS-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol
CID 107725618
5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 107086855
[6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 81238278
2-[4-[6-(hydroxymethyl)pyridazin-3-yl]oxyphenyl]ethanol
CID 107709782
5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-4-amine
CID 83265567
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80915422
2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboximidamide
CID 114769248
N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80867147
2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343550
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
[6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol
CID 116802649

Frequently Asked Questions

What is the IUPAC name of [6-(3-methyl-4-propan-2-ylphenoxy)pyridazin-3-yl]methanol?
The IUPAC name of [6-(3-methyl-4-propan-2-ylphenoxy)pyridazin-3-yl]methanol (CID 61257121) is [6-(3-methyl-4-propan-2-ylphenoxy)pyridazin-3-yl]methanol.
What is the SMILES notation for [6-(3-methyl-4-propan-2-ylphenoxy)pyridazin-3-yl]methanol?
The canonical SMILES for [6-(3-methyl-4-propan-2-ylphenoxy)pyridazin-3-yl]methanol is Cc1cc(Oc2ccc(CO)nn2)ccc1C(C)C.
What is the InChIKey of [6-(3-methyl-4-propan-2-ylphenoxy)pyridazin-3-yl]methanol?
The InChIKey is OZDRZLLVEFVZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)14-6-5-13(8-11(14)3)19-15-7-4-12(9-18)16-17-15/h4-8,10,18H,9H2,1-3H3.
What are the key properties of [6-(3-methyl-4-propan-2-ylphenoxy)pyridazin-3-yl]methanol?
[6-(3-methyl-4-propan-2-ylphenoxy)pyridazin-3-yl]methanol has a molecular weight of 258.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methyl-4-propan-2-ylphenoxy)pyridazin-3-yl]methanol is sourced from PubChem (CID 61257121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).