1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol

C15H14N2O2 — CID 105128840

IUPAC1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol
SMILESCc1cc(C(O)c2cc3ccccc3o2)c(C)nn1
InChIInChI=1S/C15H14N2O2/c1-9-7-12(10(2)17-16-9)15(18)14-8-11-5-3-4-6-13(11)19-14/h3-8,15,18H,1-2H3
InChIKeyJBDFAPHBARWOLG-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.92
Rot. Bonds2

About 1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol

1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol (PubChem CID 105128840) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol
PubChem CID105128840
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol
SMILESCc1cc(C(O)c2cc3ccccc3o2)c(C)nn1
InChIInChI=1S/C15H14N2O2/c1-9-7-12(10(2)17-16-9)15(18)14-8-11-5-3-4-6-13(11)19-14/h3-8,15,18H,1-2H3
InChIKeyJBDFAPHBARWOLG-UHFFFAOYSA-N
XLogP2.92
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol
CID 107103499
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563
(5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105129403
1-benzofuran-2-yl(thiadiazol-4-yl)methanol
CID 105128865
1-benzofuran-2-yl-(2-cyclopropylphenyl)methanol
CID 114724251
1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 82805523
1-benzofuran-2-yl-(2-bromo-5-chlorophenyl)methanol
CID 114724178
1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 11491963
1-benzofuran-2-yl(thiophen-2-yl)methanol
CID 63090596
1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol
CID 63090768
2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105133084
1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol
CID 105080205

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol?
The IUPAC name of 1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol (CID 105128840) is 1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol.
What is the SMILES notation for 1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol?
The canonical SMILES for 1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol is Cc1cc(C(O)c2cc3ccccc3o2)c(C)nn1.
What is the InChIKey of 1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol?
The InChIKey is JBDFAPHBARWOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9-7-12(10(2)17-16-9)15(18)14-8-11-5-3-4-6-13(11)19-14/h3-8,15,18H,1-2H3.
What are the key properties of 1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol?
1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol has a molecular weight of 254.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol is sourced from PubChem (CID 105128840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).