Skip to content

Befunolol

C16H21NO4 — CID 2309

💊View drug profile → befunolol

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-yl]ethanone
SMILESCC(=O)c1cc2cccc(OCC(O)CNC(C)C)c2o1
InChIInChI=1S/C16H21NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10,13,17,19H,8-9H2,1-3H3
InChIKeyZPQPDBIHYCBNIG-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.37
Rot. Bonds7

About Befunolol

Befunolol (PubChem CID 2309) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-yl]ethanone.

Molecular Properties

Compound NameBefunolol
PubChem CID2309
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-[7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-yl]ethanone
SMILESCC(=O)c1cc2cccc(OCC(O)CNC(C)C)c2o1
InChIInChI=1S/C16H21NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10,13,17,19H,8-9H2,1-3H3
InChIKeyZPQPDBIHYCBNIG-UHFFFAOYSA-N
XLogP2.37
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze Befunolol 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

Ethanone, 1-(7-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2-benzofuranyl)-, hydrochloride (1:1)
CID 6917856
Ethyl 4-({(2s)-2-Hydroxy-3-[(1-Methylethyl)amino]propyl}oxy)-3-Methyl-1-Benzofuran-2-Carboxylate
CID 913103
Ethyl 4-(2-hydroxy-3-(isopropylamino)propoxy)-3-methylbenzofuran-2-carboxylate hydrochloride
CID 6602742
[2-(Cyclopropylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 2553943

Frequently Asked Questions

What is the IUPAC name of Befunolol?
The IUPAC name of Befunolol (CID 2309) is 1-[7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-yl]ethanone.
What is the SMILES notation for Befunolol?
The canonical SMILES for Befunolol is CC(=O)c1cc2cccc(OCC(O)CNC(C)C)c2o1.
What is the InChIKey of Befunolol?
The InChIKey is ZPQPDBIHYCBNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10,13,17,19H,8-9H2,1-3H3.
What are the key properties of Befunolol?
Befunolol has a molecular weight of 291.35 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Befunolol is sourced from PubChem (CID 2309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: B · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.