1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone

C13H10Br2O3 — CID 114964535

IUPAC1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Br)cc1CC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H10Br2O3/c1-17-11-3-2-9(14)6-8(11)7-10(16)12-4-5-13(15)18-12/h2-6H,7H2,1H3
InChIKeyHEXXXQMAJPPQFR-UHFFFAOYSA-N
MW374.03 g/mol
LogP4.24
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone

1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone (PubChem CID 114964535) has the molecular formula C13H10Br2O3 and a molecular weight of 374.03 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone
PubChem CID114964535
Molecular FormulaC13H10Br2O3
Molecular Weight374.03 g/mol
Exact Mass371.90
IUPAC Name1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Br)cc1CC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H10Br2O3/c1-17-11-3-2-9(14)6-8(11)7-10(16)12-4-5-13(15)18-12/h2-6H,7H2,1H3
InChIKeyHEXXXQMAJPPQFR-UHFFFAOYSA-N
XLogP4.24
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.03
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone 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-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylfuran-3-yl)ethanone
CID 114964598
1-[4-(2-aminoethyl)phenyl]-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116577782
1-(5-bromofuran-2-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione
CID 159254537
1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116591939
1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 63410576
2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone
CID 62098415
2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone
CID 114964515
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone
CID 114964594
2-(5-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)ethanone
CID 63084863
5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110795187
5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide
CID 32858696
propan-2-yl 2-(5-bromo-2-methoxyphenyl)acetate
CID 82550039

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone (CID 114964535) is 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone is COc1ccc(Br)cc1CC(=O)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone?
The InChIKey is HEXXXQMAJPPQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2O3/c1-17-11-3-2-9(14)6-8(11)7-10(16)12-4-5-13(15)18-12/h2-6H,7H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone?
1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone has a molecular weight of 374.03 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone is sourced from PubChem (CID 114964535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).