2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran

C17H15BrO2 — CID 63542413

IUPAC2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran
SMILESCOc1ccc(CC(Br)c2cc3ccccc3o2)cc1
InChIInChI=1S/C17H15BrO2/c1-19-14-8-6-12(7-9-14)10-15(18)17-11-13-4-2-3-5-16(13)20-17/h2-9,11,15H,10H2,1H3
InChIKeySFGQCSHSYMYPFX-UHFFFAOYSA-N
MW331.21 g/mol
LogP5.12
Rot. Bonds4

About 2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran

2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran (PubChem CID 63542413) has the molecular formula C17H15BrO2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran.

Molecular Properties

Compound Name2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran
PubChem CID63542413
Molecular FormulaC17H15BrO2
Molecular Weight331.21 g/mol
Exact Mass330.03
IUPAC Name2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran
SMILESCOc1ccc(CC(Br)c2cc3ccccc3o2)cc1
InChIInChI=1S/C17H15BrO2/c1-19-14-8-6-12(7-9-14)10-15(18)17-11-13-4-2-3-5-16(13)20-17/h2-9,11,15H,10H2,1H3
InChIKeySFGQCSHSYMYPFX-UHFFFAOYSA-N
XLogP5.12
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.21
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-bromo-2-(4-methoxyphenyl)ethyl]-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

1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 65447175
2-[1-bromo-2-(3-methoxyphenyl)ethyl]-5-methyl-1-benzofuran
CID 63543642
2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine
CID 66455045
1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine
CID 63091845
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 46551191
methyl (2S)-2-(1-benzofuran-2-carbonylamino)-3-(4-methoxyphenyl)propanoate
CID 86655478
1-(1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63091128
1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol
CID 63017494
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 134040576
2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methyl-1-benzofuran
CID 63542288
N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline
CID 43824329

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran?
The IUPAC name of 2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran (CID 63542413) is 2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran.
What is the SMILES notation for 2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran?
The canonical SMILES for 2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran is COc1ccc(CC(Br)c2cc3ccccc3o2)cc1.
What is the InChIKey of 2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran?
The InChIKey is SFGQCSHSYMYPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO2/c1-19-14-8-6-12(7-9-14)10-15(18)17-11-13-4-2-3-5-16(13)20-17/h2-9,11,15H,10H2,1H3.
What are the key properties of 2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran?
2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran has a molecular weight of 331.21 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran is sourced from PubChem (CID 63542413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).