ethyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate

C13H15BrO3 — CID 10891878

IUPACethyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate
SMILESCCOC(=O)CCc1cc(Br)c2c(c1)CCO2
InChIInChI=1S/C13H15BrO3/c1-2-16-12(15)4-3-9-7-10-5-6-17-13(10)11(14)8-9/h7-8H,2-6H2,1H3
InChIKeyUNEPEIYBFPORDK-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.88
Rot. Bonds4

About ethyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate

ethyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate (PubChem CID 10891878) has the molecular formula C13H15BrO3 and a molecular weight of 299.16 g/mol. Its IUPAC name is ethyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate
PubChem CID10891878
Molecular FormulaC13H15BrO3
Molecular Weight299.16 g/mol
Exact Mass298.02
IUPAC Nameethyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate
SMILESCCOC(=O)CCc1cc(Br)c2c(c1)CCO2
InChIInChI=1S/C13H15BrO3/c1-2-16-12(15)4-3-9-7-10-5-6-17-13(10)11(14)8-9/h7-8H,2-6H2,1H3
InChIKeyUNEPEIYBFPORDK-UHFFFAOYSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate?
The IUPAC name of ethyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate (CID 10891878) is ethyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate.
What is the SMILES notation for ethyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate?
The canonical SMILES for ethyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate is CCOC(=O)CCc1cc(Br)c2c(c1)CCO2.
What is the InChIKey of ethyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate?
The InChIKey is UNEPEIYBFPORDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO3/c1-2-16-12(15)4-3-9-7-10-5-6-17-13(10)11(14)8-9/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate?
ethyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate has a molecular weight of 299.16 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propanoate is sourced from PubChem (CID 10891878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).