(2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol

C13H14N2O3 — CID 105131599

IUPAC(2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol
SMILESCOc1cccc(OC)c1C(O)c1ccnnc1
InChIInChI=1S/C13H14N2O3/c1-17-10-4-3-5-11(18-2)12(10)13(16)9-6-7-14-15-8-9/h3-8,13,16H,1-2H3
InChIKeyWUDRFZREKVEZRQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.58
Rot. Bonds4

About (2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol

(2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol (PubChem CID 105131599) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol
PubChem CID105131599
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol
SMILESCOc1cccc(OC)c1C(O)c1ccnnc1
InChIInChI=1S/C13H14N2O3/c1-17-10-4-3-5-11(18-2)12(10)13(16)9-6-7-14-15-8-9/h3-8,13,16H,1-2H3
InChIKeyWUDRFZREKVEZRQ-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

(2,4-dimethoxyphenyl)-pyridazin-4-ylmethanol
CID 105095945
N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105188741
(4-fluorophenyl)-pyridazin-4-ylmethanol
CID 105077226
(2,6-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
CID 116809671
[3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol
CID 116809823
(2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol
CID 103397496
(2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 116809700
(3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 116809848
N-[(2-fluoro-3-methoxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105174724
(6-methyl-3-pyridinyl)-pyridazin-4-ylmethanol
CID 105096831
N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105093478
(2-fluoro-6-methoxyphenyl)-(5-methyl-3-pyridinyl)methanol
CID 115374206

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol?
The IUPAC name of (2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol (CID 105131599) is (2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol.
What is the SMILES notation for (2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol?
The canonical SMILES for (2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol is COc1cccc(OC)c1C(O)c1ccnnc1.
What is the InChIKey of (2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol?
The InChIKey is WUDRFZREKVEZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-17-10-4-3-5-11(18-2)12(10)13(16)9-6-7-14-15-8-9/h3-8,13,16H,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol?
(2,6-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 (2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol is sourced from PubChem (CID 105131599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).