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4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol

C13H21NO3 — CID 103035297

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol
SMILESCOc1ccc(C(O)CCC(C)(C)OC)cn1
InChIInChI=1S/C13H21NO3/c1-13(2,17-4)8-7-11(15)10-5-6-12(16-3)14-9-10/h5-6,9,11,15H,7-8H2,1-4H3
InChIKeyMQKRCDZBJOFRLR-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.33
Rot. Bonds6

About 4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol

4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol (PubChem CID 103035297) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol
PubChem CID103035297
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol
SMILESCOc1ccc(C(O)CCC(C)(C)OC)cn1
InChIInChI=1S/C13H21NO3/c1-13(2,17-4)8-7-11(15)10-5-6-12(16-3)14-9-10/h5-6,9,11,15H,7-8H2,1-4H3
InChIKeyMQKRCDZBJOFRLR-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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol?
The IUPAC name of 4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol (CID 103035297) is 4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol.
What is the SMILES notation for 4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol?
The canonical SMILES for 4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol is COc1ccc(C(O)CCC(C)(C)OC)cn1.
What is the InChIKey of 4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol?
The InChIKey is MQKRCDZBJOFRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(2,17-4)8-7-11(15)10-5-6-12(16-3)14-9-10/h5-6,9,11,15H,7-8H2,1-4H3.
What are the key properties of 4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol?
4-methoxy-1-(6-methoxy-3-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-3-pyridinyl)-4-methylpentan-1-ol is sourced from PubChem (CID 103035297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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