(3,6-dimethylpyridazin-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanol

C16H20N2O2 — CID 105124256

IUPAC(3,6-dimethylpyridazin-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2cc(C)nnc2C)cc1C
InChIInChI=1S/C16H20N2O2/c1-9-7-15(20-5)10(2)6-13(9)16(19)14-8-11(3)17-18-12(14)4/h6-8,16,19H,1-5H3
InChIKeyOKLYQQIBEIQCFC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.80
Rot. Bonds3

About (3,6-dimethylpyridazin-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanol

(3,6-dimethylpyridazin-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanol (PubChem CID 105124256) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (3,6-dimethylpyridazin-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3,6-dimethylpyridazin-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
PubChem CID105124256
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(3,6-dimethylpyridazin-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2cc(C)nnc2C)cc1C
InChIInChI=1S/C16H20N2O2/c1-9-7-15(20-5)10(2)6-13(9)16(19)14-8-11(3)17-18-12(14)4/h6-8,16,19H,1-5H3
InChIKeyOKLYQQIBEIQCFC-UHFFFAOYSA-N
XLogP2.80
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831252
(2,5-dibromothiophen-3-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 107969859
1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 11491963
(5-fluoro-3-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 105124352
1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene
CID 20549048
(5-chlorothiophen-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 113370055
1-(2,4-dimethoxy-5-methylphenyl)ethanol
CID 84666953
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 82366763
1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethylpyridazin-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanol?
The IUPAC name of (3,6-dimethylpyridazin-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanol (CID 105124256) is (3,6-dimethylpyridazin-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanol.
What is the SMILES notation for (3,6-dimethylpyridazin-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanol?
The canonical SMILES for (3,6-dimethylpyridazin-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanol is COc1cc(C)c(C(O)c2cc(C)nnc2C)cc1C.
What is the InChIKey of (3,6-dimethylpyridazin-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanol?
The InChIKey is OKLYQQIBEIQCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-9-7-15(20-5)10(2)6-13(9)16(19)14-8-11(3)17-18-12(14)4/h6-8,16,19H,1-5H3.
What are the key properties of (3,6-dimethylpyridazin-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanol?
(3,6-dimethylpyridazin-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanol has a molecular weight of 272.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethylpyridazin-4-yl)-(4-methoxy-2,5-dimethylphenyl)methanol is sourced from PubChem (CID 105124256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).