4-[5-(2-methoxyethoxymethoxy)-3-pyridinyl]butan-1-ol

C13H21NO4 — CID 69111076

IUPAC4-[5-(2-methoxyethoxymethoxy)-3-pyridinyl]butan-1-ol
SMILESCOCCOCOc1cncc(CCCCO)c1
InChIInChI=1S/C13H21NO4/c1-16-6-7-17-11-18-13-8-12(9-14-10-13)4-2-3-5-15/h8-10,15H,2-7,11H2,1H3
InChIKeyXBLYCPGFGJAWBI-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.40
Rot. Bonds10

About 4-[5-(2-methoxyethoxymethoxy)-3-pyridinyl]butan-1-ol

4-[5-(2-methoxyethoxymethoxy)-3-pyridinyl]butan-1-ol (PubChem CID 69111076) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-[5-(2-methoxyethoxymethoxy)-3-pyridinyl]butan-1-ol.

Molecular Properties

Compound Name4-[5-(2-methoxyethoxymethoxy)-3-pyridinyl]butan-1-ol
PubChem CID69111076
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name4-[5-(2-methoxyethoxymethoxy)-3-pyridinyl]butan-1-ol
SMILESCOCCOCOc1cncc(CCCCO)c1
InChIInChI=1S/C13H21NO4/c1-16-6-7-17-11-18-13-8-12(9-14-10-13)4-2-3-5-15/h8-10,15H,2-7,11H2,1H3
InChIKeyXBLYCPGFGJAWBI-UHFFFAOYSA-N
XLogP1.40
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]methylamino]ethanol
CID 165405693
[3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol
CID 10796614
4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol
CID 173357798
4-(2-methoxyethoxymethoxy)phenol
CID 21223145
5-[3-(2-methoxyethoxy)propoxy]-N-methylpyridin-3-amine
CID 103408503
2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol
CID 68603609
5-(5-hydroxypentoxy)pyridine-3-carboxylic acid
CID 63851859
5-(4-methoxybutoxy)pyridine-3-carboxylic acid
CID 104646807
5-[2-(3-methoxypropoxy)ethoxy]pyridin-3-amine
CID 103176470
N-[5-(3-hydroxypropoxy)-3-pyridinyl]acetamide
CID 145083568
4-(5-methoxy-3-pyridinyl)butan-2-one
CID 69229885
2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene
CID 139915382

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyethoxymethoxy)-3-pyridinyl]butan-1-ol?
The IUPAC name of 4-[5-(2-methoxyethoxymethoxy)-3-pyridinyl]butan-1-ol (CID 69111076) is 4-[5-(2-methoxyethoxymethoxy)-3-pyridinyl]butan-1-ol.
What is the SMILES notation for 4-[5-(2-methoxyethoxymethoxy)-3-pyridinyl]butan-1-ol?
The canonical SMILES for 4-[5-(2-methoxyethoxymethoxy)-3-pyridinyl]butan-1-ol is COCCOCOc1cncc(CCCCO)c1.
What is the InChIKey of 4-[5-(2-methoxyethoxymethoxy)-3-pyridinyl]butan-1-ol?
The InChIKey is XBLYCPGFGJAWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-16-6-7-17-11-18-13-8-12(9-14-10-13)4-2-3-5-15/h8-10,15H,2-7,11H2,1H3.
What are the key properties of 4-[5-(2-methoxyethoxymethoxy)-3-pyridinyl]butan-1-ol?
4-[5-(2-methoxyethoxymethoxy)-3-pyridinyl]butan-1-ol has a molecular weight of 255.31 g/mol, XLogP of 1.40, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyethoxymethoxy)-3-pyridinyl]butan-1-ol is sourced from PubChem (CID 69111076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).