1-(5-propoxy-3-pyridinyl)butane-1,2-diol

C12H19NO3 — CID 103454750

IUPAC1-(5-propoxy-3-pyridinyl)butane-1,2-diol
SMILESCCCOc1cncc(C(O)C(O)CC)c1
InChIInChI=1S/C12H19NO3/c1-3-5-16-10-6-9(7-13-8-10)12(15)11(14)4-2/h6-8,11-12,14-15H,3-5H2,1-2H3
InChIKeyHNUZPLVZLAFBAO-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.67
Rot. Bonds6

About 1-(5-propoxy-3-pyridinyl)butane-1,2-diol

1-(5-propoxy-3-pyridinyl)butane-1,2-diol (PubChem CID 103454750) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(5-propoxy-3-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name1-(5-propoxy-3-pyridinyl)butane-1,2-diol
PubChem CID103454750
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(5-propoxy-3-pyridinyl)butane-1,2-diol
SMILESCCCOc1cncc(C(O)C(O)CC)c1
InChIInChI=1S/C12H19NO3/c1-3-5-16-10-6-9(7-13-8-10)12(15)11(14)4-2/h6-8,11-12,14-15H,3-5H2,1-2H3
InChIKeyHNUZPLVZLAFBAO-UHFFFAOYSA-N
XLogP1.67
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-propoxy-3-pyridinyl)butane-1,2-diol 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

2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103449515
(2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol
CID 115829129
4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol
CID 105121586
(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829191
1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol
CID 103459699
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
(2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829147
2-methyl-2-methylsulfonyl-1-(5-propoxy-3-pyridinyl)propan-1-ol
CID 115829152
(2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829228
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol
CID 115829169
2-ethoxy-2-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 116758579
2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine
CID 105026955

Frequently Asked Questions

What is the IUPAC name of 1-(5-propoxy-3-pyridinyl)butane-1,2-diol?
The IUPAC name of 1-(5-propoxy-3-pyridinyl)butane-1,2-diol (CID 103454750) is 1-(5-propoxy-3-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 1-(5-propoxy-3-pyridinyl)butane-1,2-diol?
The canonical SMILES for 1-(5-propoxy-3-pyridinyl)butane-1,2-diol is CCCOc1cncc(C(O)C(O)CC)c1.
What is the InChIKey of 1-(5-propoxy-3-pyridinyl)butane-1,2-diol?
The InChIKey is HNUZPLVZLAFBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-5-16-10-6-9(7-13-8-10)12(15)11(14)4-2/h6-8,11-12,14-15H,3-5H2,1-2H3.
What are the key properties of 1-(5-propoxy-3-pyridinyl)butane-1,2-diol?
1-(5-propoxy-3-pyridinyl)butane-1,2-diol has a molecular weight of 225.29 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propoxy-3-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 103454750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).