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

C14H23NO3 — CID 103449515

IUPAC2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol
SMILESCCCOc1cncc(C(O)C(O)(CC)CC)c1
InChIInChI=1S/C14H23NO3/c1-4-7-18-12-8-11(9-15-10-12)13(16)14(17,5-2)6-3/h8-10,13,16-17H,4-7H2,1-3H3
InChIKeyUYMVSCWCQIEJTI-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.45
Rot. Bonds7

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

2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol (PubChem CID 103449515) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol
PubChem CID103449515
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol
SMILESCCCOc1cncc(C(O)C(O)(CC)CC)c1
InChIInChI=1S/C14H23NO3/c1-4-7-18-12-8-11(9-15-10-12)13(16)14(17,5-2)6-3/h8-10,13,16-17H,4-7H2,1-3H3
InChIKeyUYMVSCWCQIEJTI-UHFFFAOYSA-N
XLogP2.45
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-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-methyl-2-methylsulfonyl-1-(5-propoxy-3-pyridinyl)propan-1-ol
CID 115829152
1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103454750
2-ethoxy-2-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 116758579
4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol
CID 105121586
2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine
CID 105026955
(2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol
CID 115829129
(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829191
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol
CID 115829169
(2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829147
2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine
CID 116726587
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
(3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol
CID 103408210

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol?
The IUPAC name of 2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol (CID 103449515) is 2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol?
The canonical SMILES for 2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol is CCCOc1cncc(C(O)C(O)(CC)CC)c1.
What is the InChIKey of 2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol?
The InChIKey is UYMVSCWCQIEJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-7-18-12-8-11(9-15-10-12)13(16)14(17,5-2)6-3/h8-10,13,16-17H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol?
2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol has a molecular weight of 253.34 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 103449515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).