(6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol

C15H18N2O3 — CID 103373461

IUPAC(6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)c2ccc(OC)nn2)cc1
InChIInChI=1S/C15H18N2O3/c1-3-10-20-12-6-4-11(5-7-12)15(18)13-8-9-14(19-2)17-16-13/h4-9,15,18H,3,10H2,1-2H3
InChIKeyABNKJNKTKNTGIP-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.36
Rot. Bonds6

About (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol

(6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol (PubChem CID 103373461) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol.

Molecular Properties

Compound Name(6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol
PubChem CID103373461
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)c2ccc(OC)nn2)cc1
InChIInChI=1S/C15H18N2O3/c1-3-10-20-12-6-4-11(5-7-12)15(18)13-8-9-14(19-2)17-16-13/h4-9,15,18H,3,10H2,1-2H3
InChIKeyABNKJNKTKNTGIP-UHFFFAOYSA-N
XLogP2.36
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol?
The IUPAC name of (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol (CID 103373461) is (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol.
What is the SMILES notation for (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol?
The canonical SMILES for (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol is CCCOc1ccc(C(O)c2ccc(OC)nn2)cc1.
What is the InChIKey of (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol?
The InChIKey is ABNKJNKTKNTGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-10-20-12-6-4-11(5-7-12)15(18)13-8-9-14(19-2)17-16-13/h4-9,15,18H,3,10H2,1-2H3.
What are the key properties of (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol?
(6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol has a molecular weight of 274.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol is sourced from PubChem (CID 103373461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).