4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol

C13H21NO3 — CID 103348199

IUPAC4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol
SMILESCOc1cccc(C(O)CCC(C)(C)OC)n1
InChIInChI=1S/C13H21NO3/c1-13(2,17-4)9-8-11(15)10-6-5-7-12(14-10)16-3/h5-7,11,15H,8-9H2,1-4H3
InChIKeyWFNBMQWXNIAIMN-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.33
Rot. Bonds6

About 4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol

4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol (PubChem CID 103348199) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol
PubChem CID103348199
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol
SMILESCOc1cccc(C(O)CCC(C)(C)OC)n1
InChIInChI=1S/C13H21NO3/c1-13(2,17-4)9-8-11(15)10-6-5-7-12(14-10)16-3/h5-7,11,15H,8-9H2,1-4H3
InChIKeyWFNBMQWXNIAIMN-UHFFFAOYSA-N
XLogP2.33
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 103348126
2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103348150
4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol
CID 103035297
1-(6-methoxy-2-pyridinyl)-2,2-dimethylpropan-1-ol
CID 10679382
4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol
CID 103035234
4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229
2-(aminomethyl)-1-(6-methoxy-2-pyridinyl)-2-methylbutan-1-ol
CID 103348729
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 82654871
3-(6-methoxy-2-pyridinyl)butan-2-ol
CID 63588761
3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol
CID 170827832
1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol
CID 106695946

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol?
The IUPAC name of 4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol (CID 103348199) is 4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol.
What is the SMILES notation for 4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol?
The canonical SMILES for 4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol is COc1cccc(C(O)CCC(C)(C)OC)n1.
What is the InChIKey of 4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol?
The InChIKey is WFNBMQWXNIAIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(2,17-4)9-8-11(15)10-6-5-7-12(14-10)16-3/h5-7,11,15H,8-9H2,1-4H3.
What are the key properties of 4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol?
4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol is sourced from PubChem (CID 103348199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).