(5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol

C16H15ClN2O2 — CID 105129403

IUPAC(5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
SMILESCCc1nnc(C)cc1C(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H15ClN2O2/c1-3-13-12(6-9(2)18-19-13)16(20)15-8-10-7-11(17)4-5-14(10)21-15/h4-8,16,20H,3H2,1-2H3
InChIKeyVFSWHQHGVJGNSL-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.83
Rot. Bonds3

About (5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol

(5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol (PubChem CID 105129403) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
PubChem CID105129403
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
SMILESCCc1nnc(C)cc1C(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H15ClN2O2/c1-3-13-12(6-9(2)18-19-13)16(20)15-8-10-7-11(17)4-5-14(10)21-15/h4-8,16,20H,3H2,1-2H3
InChIKeyVFSWHQHGVJGNSL-UHFFFAOYSA-N
XLogP3.83
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol
CID 114723599
(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol
CID 106859550
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
(5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969916
(5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol
CID 114723653
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 114726426
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol
CID 105128840
(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727131
(5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol
CID 114726543
(3-ethyl-6-methylpyridazin-4-yl)-(furan-3-yl)methanol
CID 105097197
(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol
CID 114724857

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol (CID 105129403) is (5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol is CCc1nnc(C)cc1C(O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The InChIKey is VFSWHQHGVJGNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-3-13-12(6-9(2)18-19-13)16(20)15-8-10-7-11(17)4-5-14(10)21-15/h4-8,16,20H,3H2,1-2H3.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
(5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol has a molecular weight of 302.76 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol is sourced from PubChem (CID 105129403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).