2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan

C12H9Br3O2 — CID 63443265

IUPAC2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan
SMILESCOc1ccc(C(Br)c2ccc(Br)o2)c(Br)c1
InChIInChI=1S/C12H9Br3O2/c1-16-7-2-3-8(9(13)6-7)12(15)10-4-5-11(14)17-10/h2-6,12H,1H3
InChIKeyWPHSKWZOTRQKPJ-UHFFFAOYSA-N
MW424.91 g/mol
LogP5.30
Rot. Bonds3

About 2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan

2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan (PubChem CID 63443265) has the molecular formula C12H9Br3O2 and a molecular weight of 424.91 g/mol. Its IUPAC name is 2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan.

Molecular Properties

Compound Name2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan
PubChem CID63443265
Molecular FormulaC12H9Br3O2
Molecular Weight424.91 g/mol
Exact Mass421.82
IUPAC Name2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan
SMILESCOc1ccc(C(Br)c2ccc(Br)o2)c(Br)c1
InChIInChI=1S/C12H9Br3O2/c1-16-7-2-3-8(9(13)6-7)12(15)10-4-5-11(14)17-10/h2-6,12H,1H3
InChIKeyWPHSKWZOTRQKPJ-UHFFFAOYSA-N
XLogP5.30
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.91
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan 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-(5-bromofuran-2-yl)-1-(2-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 60787977
2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan
CID 63440860
2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan
CID 61086394
2,3-dibromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]thiophene
CID 80538746
2,5-dibromo-3-[bromo-(2-bromo-4-methoxyphenyl)methyl]thiophene
CID 114021645
(5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine
CID 43561843
N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490697
2,4-dibromo-1-[bromo-(4-methoxy-2-methylphenyl)methyl]benzene
CID 107958215
2-bromo-1-[bromo-(3-bromo-4-methylphenyl)methyl]-4-methoxybenzene
CID 81476572
2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan
CID 83068143
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan?
The IUPAC name of 2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan (CID 63443265) is 2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan.
What is the SMILES notation for 2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan?
The canonical SMILES for 2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan is COc1ccc(C(Br)c2ccc(Br)o2)c(Br)c1.
What is the InChIKey of 2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan?
The InChIKey is WPHSKWZOTRQKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br3O2/c1-16-7-2-3-8(9(13)6-7)12(15)10-4-5-11(14)17-10/h2-6,12H,1H3.
What are the key properties of 2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan?
2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan has a molecular weight of 424.91 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan is sourced from PubChem (CID 63443265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).