5-(6-methoxypyridazin-4-yl)-2-methylphenol

C12H12N2O2 — CID 155407230

IUPAC5-(6-methoxypyridazin-4-yl)-2-methylphenol
SMILESCOc1cc(-c2ccc(C)c(O)c2)cnn1
InChIInChI=1S/C12H12N2O2/c1-8-3-4-9(5-11(8)15)10-6-12(16-2)14-13-7-10/h3-7,15H,1-2H3
InChIKeyTXWSDWIECVRLQH-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.17
Rot. Bonds2

About 5-(6-methoxypyridazin-4-yl)-2-methylphenol

5-(6-methoxypyridazin-4-yl)-2-methylphenol (PubChem CID 155407230) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(6-methoxypyridazin-4-yl)-2-methylphenol.

Molecular Properties

Compound Name5-(6-methoxypyridazin-4-yl)-2-methylphenol
PubChem CID155407230
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-(6-methoxypyridazin-4-yl)-2-methylphenol
SMILESCOc1cc(-c2ccc(C)c(O)c2)cnn1
InChIInChI=1S/C12H12N2O2/c1-8-3-4-9(5-11(8)15)10-6-12(16-2)14-13-7-10/h3-7,15H,1-2H3
InChIKeyTXWSDWIECVRLQH-UHFFFAOYSA-N
XLogP2.17
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-hydroxy-4-methylphenyl)-2-methylphenol
CID 22942672
5-(6-methoxypyridazin-4-yl)-2-[6-(methylamino)pyridazin-3-yl]phenol
CID 155041644
5-(6-methoxypyrimidin-4-yl)-2-methylphenol
CID 155407722
5-(3-methoxyphenyl)-2-methylphenol
CID 53218836
5-(3,4-dichlorophenyl)-2-methylphenol
CID 53219084
2-methyl-5-pyridin-4-ylphenol
CID 46316792
4-fluoro-3-(6-methoxypyridazin-4-yl)phenol
CID 167504130
5-(2-aminopyrimidin-5-yl)-2-methylphenol;ethane
CID 142442120
[5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
CID 155560958
5-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylphenol
CID 53219174
2-[6-[3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol
CID 167504016
2-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(6-methoxypyridazin-4-yl)phenol
CID 167504178

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxypyridazin-4-yl)-2-methylphenol?
The IUPAC name of 5-(6-methoxypyridazin-4-yl)-2-methylphenol (CID 155407230) is 5-(6-methoxypyridazin-4-yl)-2-methylphenol.
What is the SMILES notation for 5-(6-methoxypyridazin-4-yl)-2-methylphenol?
The canonical SMILES for 5-(6-methoxypyridazin-4-yl)-2-methylphenol is COc1cc(-c2ccc(C)c(O)c2)cnn1.
What is the InChIKey of 5-(6-methoxypyridazin-4-yl)-2-methylphenol?
The InChIKey is TXWSDWIECVRLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-3-4-9(5-11(8)15)10-6-12(16-2)14-13-7-10/h3-7,15H,1-2H3.
What are the key properties of 5-(6-methoxypyridazin-4-yl)-2-methylphenol?
5-(6-methoxypyridazin-4-yl)-2-methylphenol has a molecular weight of 216.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxypyridazin-4-yl)-2-methylphenol is sourced from PubChem (CID 155407230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).