[2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol

C15H25NO4 — CID 103403974

IUPAC[2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol
SMILESCCCc1cc(CO)cc(OCCCOCCOC)n1
InChIInChI=1S/C15H25NO4/c1-3-5-14-10-13(12-17)11-15(16-14)20-7-4-6-19-9-8-18-2/h10-11,17H,3-9,12H2,1-2H3
InChIKeyXEJLUYUUIPBXEP-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.96
Rot. Bonds11

About [2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol

[2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol (PubChem CID 103403974) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is [2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol
PubChem CID103403974
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name[2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol
SMILESCCCc1cc(CO)cc(OCCCOCCOC)n1
InChIInChI=1S/C15H25NO4/c1-3-5-14-10-13(12-17)11-15(16-14)20-7-4-6-19-9-8-18-2/h10-11,17H,3-9,12H2,1-2H3
InChIKeyXEJLUYUUIPBXEP-UHFFFAOYSA-N
XLogP1.96
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol?
The IUPAC name of [2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol (CID 103403974) is [2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol.
What is the SMILES notation for [2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol?
The canonical SMILES for [2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol is CCCc1cc(CO)cc(OCCCOCCOC)n1.
What is the InChIKey of [2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol?
The InChIKey is XEJLUYUUIPBXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-3-5-14-10-13(12-17)11-15(16-14)20-7-4-6-19-9-8-18-2/h10-11,17H,3-9,12H2,1-2H3.
What are the key properties of [2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol?
[2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol has a molecular weight of 283.37 g/mol, XLogP of 1.96, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-methoxyethoxy)propoxy]-6-propyl-4-pyridinyl]methanol is sourced from PubChem (CID 103403974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).