4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine

C17H22N2O2 — CID 118445645

IUPAC4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine
SMILESCOc1cc(OC(C)(C)C)ccc1-c1c(C)cnnc1C
InChIInChI=1S/C17H22N2O2/c1-11-10-18-19-12(2)16(11)14-8-7-13(9-15(14)20-6)21-17(3,4)5/h7-10H,1-6H3
InChIKeyJPFXGUMHWFOAOK-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.95
Rot. Bonds3

About 4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine

4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine (PubChem CID 118445645) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine.

Molecular Properties

Compound Name4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine
PubChem CID118445645
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine
SMILESCOc1cc(OC(C)(C)C)ccc1-c1c(C)cnnc1C
InChIInChI=1S/C17H22N2O2/c1-11-10-18-19-12(2)16(11)14-8-7-13(9-15(14)20-6)21-17(3,4)5/h7-10H,1-6H3
InChIKeyJPFXGUMHWFOAOK-UHFFFAOYSA-N
XLogP3.95
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine?
The IUPAC name of 4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine (CID 118445645) is 4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine.
What is the SMILES notation for 4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine?
The canonical SMILES for 4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine is COc1cc(OC(C)(C)C)ccc1-c1c(C)cnnc1C.
What is the InChIKey of 4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine?
The InChIKey is JPFXGUMHWFOAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-10-18-19-12(2)16(11)14-8-7-13(9-15(14)20-6)21-17(3,4)5/h7-10H,1-6H3.
What are the key properties of 4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine?
4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine has a molecular weight of 286.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine is sourced from PubChem (CID 118445645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).