2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan

C14H14Br2O2 — CID 83068143

IUPAC2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan
SMILESCOc1c(C)cc(C(Br)c2ccc(Br)o2)cc1C
InChIInChI=1S/C14H14Br2O2/c1-8-6-10(7-9(2)14(8)17-3)13(16)11-4-5-12(15)18-11/h4-7,13H,1-3H3
InChIKeyZODIJXLEMFRKQE-UHFFFAOYSA-N
MW374.07 g/mol
LogP5.15
Rot. Bonds3

About 2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan

2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan (PubChem CID 83068143) has the molecular formula C14H14Br2O2 and a molecular weight of 374.07 g/mol. Its IUPAC name is 2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan.

Molecular Properties

Compound Name2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan
PubChem CID83068143
Molecular FormulaC14H14Br2O2
Molecular Weight374.07 g/mol
Exact Mass371.94
IUPAC Name2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan
SMILESCOc1c(C)cc(C(Br)c2ccc(Br)o2)cc1C
InChIInChI=1S/C14H14Br2O2/c1-8-6-10(7-9(2)14(8)17-3)13(16)11-4-5-12(15)18-11/h4-7,13H,1-3H3
InChIKeyZODIJXLEMFRKQE-UHFFFAOYSA-N
XLogP5.15
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.07
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan
CID 79746986
2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan
CID 63440860
3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-2-methylfuran
CID 83068075
5-[bromo-(2-bromo-4-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83068657
2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan
CID 63443265
1-bromo-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961995
2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 83048005
2-bromo-5-[bromo-(3,4-diethylphenyl)methyl]furan
CID 115483045
2-bromo-5-[bromo-(2,4-difluoro-5-methylphenyl)methyl]furan
CID 79731362
2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene
CID 83068073
5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83068733
N-[1-(5-bromofuran-2-yl)ethyl]-3-methoxy-2,4-dimethylaniline
CID 104652643

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan?
The IUPAC name of 2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan (CID 83068143) is 2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan.
What is the SMILES notation for 2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan?
The canonical SMILES for 2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan is COc1c(C)cc(C(Br)c2ccc(Br)o2)cc1C.
What is the InChIKey of 2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan?
The InChIKey is ZODIJXLEMFRKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2O2/c1-8-6-10(7-9(2)14(8)17-3)13(16)11-4-5-12(15)18-11/h4-7,13H,1-3H3.
What are the key properties of 2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan?
2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan has a molecular weight of 374.07 g/mol, XLogP of 5.15, 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-(4-methoxy-3,5-dimethylphenyl)methyl]furan is sourced from PubChem (CID 83068143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).