(2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol

C13H14N2O3 — CID 105095945

IUPAC(2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol
SMILESCOc1ccc(C(O)c2ccnnc2)c(OC)c1
InChIInChI=1S/C13H14N2O3/c1-17-10-3-4-11(12(7-10)18-2)13(16)9-5-6-14-15-8-9/h3-8,13,16H,1-2H3
InChIKeyXYPDCPZKJHUYND-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.58
Rot. Bonds4

About (2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol

(2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol (PubChem CID 105095945) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol
PubChem CID105095945
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol
SMILESCOc1ccc(C(O)c2ccnnc2)c(OC)c1
InChIInChI=1S/C13H14N2O3/c1-17-10-3-4-11(12(7-10)18-2)13(16)9-5-6-14-15-8-9/h3-8,13,16H,1-2H3
InChIKeyXYPDCPZKJHUYND-UHFFFAOYSA-N
XLogP1.58
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol
CID 103397496
(2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanol
CID 115373623
(2,4-dimethoxyphenyl)-(thiadiazol-5-yl)methanol
CID 105096021
(2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol
CID 105131599
(4-bromo-3,5-dimethylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 114329901
(3-chloro-4-pyridinyl)-(2,4-dimethoxyphenyl)methanol
CID 105095989
(2,4-dimethoxyphenyl)-(4-propylphenyl)methanol
CID 61087943
(2,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 62801796
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(2,4-dimethoxyphenyl)-pyrimidin-4-ylmethanol
CID 63989129
(2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol
CID 113370193

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol?
The IUPAC name of (2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol (CID 105095945) is (2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol.
What is the SMILES notation for (2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol?
The canonical SMILES for (2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol is COc1ccc(C(O)c2ccnnc2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol?
The InChIKey is XYPDCPZKJHUYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-17-10-3-4-11(12(7-10)18-2)13(16)9-5-6-14-15-8-9/h3-8,13,16H,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol?
(2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol has a molecular weight of 246.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol is sourced from PubChem (CID 105095945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).