5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran

C17H17BrO2 — CID 61097281

IUPAC5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCCOc1ccccc1C(Br)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H17BrO2/c1-2-19-16-6-4-3-5-14(16)17(18)13-7-8-15-12(11-13)9-10-20-15/h3-8,11,17H,2,9-10H2,1H3
InChIKeyUJKPSHBPFVCWMT-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.50
Rot. Bonds4

About 5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran

5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 61097281) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID61097281
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCCOc1ccccc1C(Br)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H17BrO2/c1-2-19-16-6-4-3-5-14(16)17(18)13-7-8-15-12(11-13)9-10-20-15/h3-8,11,17H,2,9-10H2,1H3
InChIKeyUJKPSHBPFVCWMT-UHFFFAOYSA-N
XLogP4.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran 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

5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63442832
2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol
CID 61100079
5-[bromo-(3-bromo-4-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104661813
6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61097211
5-[bromo-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81477363
5-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 65433487
5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61097885
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 90558062
5-[bromo-(2-bromo-5-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81112440
5-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81284360
5-[bromo-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 79084281
5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63439179

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran (CID 61097281) is 5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran is CCOc1ccccc1C(Br)c1ccc2c(c1)CCO2.
What is the InChIKey of 5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is UJKPSHBPFVCWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-2-19-16-6-4-3-5-14(16)17(18)13-7-8-15-12(11-13)9-10-20-15/h3-8,11,17H,2,9-10H2,1H3.
What are the key properties of 5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran?
5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 333.23 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 61097281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).