4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol

C14H23NO3 — CID 105121586

IUPAC4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol
SMILESCCCOc1cncc(C(O)CCCOCC)c1
InChIInChI=1S/C14H23NO3/c1-3-7-18-13-9-12(10-15-11-13)14(16)6-5-8-17-4-2/h9-11,14,16H,3-8H2,1-2H3
InChIKeyUNKUCYOFWKXEMZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.72
Rot. Bonds9

About 4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol

4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol (PubChem CID 105121586) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol
PubChem CID105121586
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol
SMILESCCCOc1cncc(C(O)CCCOCC)c1
InChIInChI=1S/C14H23NO3/c1-3-7-18-13-9-12(10-15-11-13)14(16)6-5-8-17-4-2/h9-11,14,16H,3-8H2,1-2H3
InChIKeyUNKUCYOFWKXEMZ-UHFFFAOYSA-N
XLogP2.72
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103454750
3-(3-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol
CID 105121600
2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103449515
[4-ethoxy-1-(5-methoxy-3-pyridinyl)butyl]hydrazine
CID 105329751
2-methyl-2-methylsulfonyl-1-(5-propoxy-3-pyridinyl)propan-1-ol
CID 115829152
4-ethoxy-1-quinolin-3-ylbutan-1-ol
CID 105079383
N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine
CID 105026682
2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol
CID 103170200
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol
CID 115829169
(2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol
CID 115829129
2-ethoxy-2-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 116758579
1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol
CID 105080397

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol?
The IUPAC name of 4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol (CID 105121586) is 4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol.
What is the SMILES notation for 4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol?
The canonical SMILES for 4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol is CCCOc1cncc(C(O)CCCOCC)c1.
What is the InChIKey of 4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol?
The InChIKey is UNKUCYOFWKXEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-7-18-13-9-12(10-15-11-13)14(16)6-5-8-17-4-2/h9-11,14,16H,3-8H2,1-2H3.
What are the key properties of 4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol?
4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 105121586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).