(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol

C16H20N2O3 — CID 105096485

IUPAC(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
SMILESCCc1nnc(C)cc1C(O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H20N2O3/c1-5-14-12(8-10(2)17-18-14)16(19)13-9-11(20-3)6-7-15(13)21-4/h6-9,16,19H,5H2,1-4H3
InChIKeyNBYMDFOXJNEPHK-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.45
Rot. Bonds5

About (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol

(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol (PubChem CID 105096485) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
PubChem CID105096485
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
SMILESCCc1nnc(C)cc1C(O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H20N2O3/c1-5-14-12(8-10(2)17-18-14)16(19)13-9-11(20-3)6-7-15(13)21-4/h6-9,16,19H,5H2,1-4H3
InChIKeyNBYMDFOXJNEPHK-UHFFFAOYSA-N
XLogP2.45
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105100041
(3-ethyl-6-methylpyridazin-4-yl)-(2-methoxyphenyl)methanamine
CID 105093493
(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105098414
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 105084519
(3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105141233
(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176557
2-(5-bromo-2-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105082045
(2,3-difluoro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 107516160
(2,5-dimethoxyphenyl)-(4-methyl-3-pyridinyl)methanol
CID 66272656
1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093671
N-[(3-ethyl-6-methylpyridazin-4-yl)-(4-methoxyphenyl)methyl]ethanamine
CID 105095248

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The IUPAC name of (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol (CID 105096485) is (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The canonical SMILES for (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol is CCc1nnc(C)cc1C(O)c1cc(OC)ccc1OC.
What is the InChIKey of (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The InChIKey is NBYMDFOXJNEPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-5-14-12(8-10(2)17-18-14)16(19)13-9-11(20-3)6-7-15(13)21-4/h6-9,16,19H,5H2,1-4H3.
What are the key properties of (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol has a molecular weight of 288.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol is sourced from PubChem (CID 105096485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).