4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol

C12H19NO3 — CID 105121262

IUPAC4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol
SMILESCOCC(C)CC(O)c1cncc(OC)c1
InChIInChI=1S/C12H19NO3/c1-9(8-15-2)4-12(14)10-5-11(16-3)7-13-6-10/h5-7,9,12,14H,4,8H2,1-3H3
InChIKeyUVLPCQAZQDCHCJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.80
Rot. Bonds6

About 4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol

4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol (PubChem CID 105121262) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol
PubChem CID105121262
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol
SMILESCOCC(C)CC(O)c1cncc(OC)c1
InChIInChI=1S/C12H19NO3/c1-9(8-15-2)4-12(14)10-5-11(16-3)7-13-6-10/h5-7,9,12,14H,4,8H2,1-3H3
InChIKeyUVLPCQAZQDCHCJ-UHFFFAOYSA-N
XLogP1.80
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-1-pyrimidin-5-ylbutan-1-ol
CID 105083775
3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol
CID 115829422
(5-fluoro-3-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
CID 105121302
4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 105096922
1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol
CID 105081848
2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol
CID 112575542
1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol
CID 105091703
1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol
CID 105121291
(5-methoxy-3-pyridinyl)-(thiadiazol-4-yl)methanol
CID 105121227
3-(dimethoxymethyl)-5-methoxypyridine
CID 45361740
1-(3,5-dimethoxyphenyl)-2-methoxyethanol
CID 79567115
1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol
CID 114195093

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol?
The IUPAC name of 4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol (CID 105121262) is 4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol.
What is the SMILES notation for 4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol?
The canonical SMILES for 4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol is COCC(C)CC(O)c1cncc(OC)c1.
What is the InChIKey of 4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol?
The InChIKey is UVLPCQAZQDCHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(8-15-2)4-12(14)10-5-11(16-3)7-13-6-10/h5-7,9,12,14H,4,8H2,1-3H3.
What are the key properties of 4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol?
4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol is sourced from PubChem (CID 105121262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).