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

C15H16Br2O — CID 115483045

IUPAC2-bromo-5-[bromo-(3,4-diethylphenyl)methyl]furan
SMILESCCc1ccc(C(Br)c2ccc(Br)o2)cc1CC
InChIInChI=1S/C15H16Br2O/c1-3-10-5-6-12(9-11(10)4-2)15(17)13-7-8-14(16)18-13/h5-9,15H,3-4H2,1-2H3
InChIKeyGFXIREADTUOIIM-UHFFFAOYSA-N
MW372.10 g/mol
LogP5.65
Rot. Bonds4

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

2-bromo-5-[bromo-(3,4-diethylphenyl)methyl]furan (PubChem CID 115483045) has the molecular formula C15H16Br2O and a molecular weight of 372.10 g/mol. Its IUPAC name is 2-bromo-5-[bromo-(3,4-diethylphenyl)methyl]furan.

Molecular Properties

Compound Name2-bromo-5-[bromo-(3,4-diethylphenyl)methyl]furan
PubChem CID115483045
Molecular FormulaC15H16Br2O
Molecular Weight372.10 g/mol
Exact Mass369.96
IUPAC Name2-bromo-5-[bromo-(3,4-diethylphenyl)methyl]furan
SMILESCCc1ccc(C(Br)c2ccc(Br)o2)cc1CC
InChIInChI=1S/C15H16Br2O/c1-3-10-5-6-12(9-11(10)4-2)15(17)13-7-8-14(16)18-13/h5-9,15H,3-4H2,1-2H3
InChIKeyGFXIREADTUOIIM-UHFFFAOYSA-N
XLogP5.65
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.10
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[bromo-(4-bromophenyl)methyl]-1,2-diethylbenzene
CID 113319257
4-[bromo-(3-bromophenyl)methyl]-1,2-diethylbenzene
CID 113319224
2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan
CID 79746986
4-[bromo-(4-chlorophenyl)methyl]-1,2-diethylbenzene
CID 113319251
4-[bromo-(4-iodophenyl)methyl]-1,2-diethylbenzene
CID 113319229
1-bromo-4-[bromo-(3,4-diethylphenyl)methyl]-2-fluorobenzene
CID 115483032
2-bromo-5-[bromo-(4-butylphenyl)methyl]furan
CID 63440007
2-bromo-5-[bromo-[4-(2-methylpropyl)phenyl]methyl]furan
CID 63435879
4-[bromo-(4-methoxyphenyl)methyl]-1,2-diethylbenzene
CID 115483026
1-bromo-3-[bromo-(3,4-diethylphenyl)methyl]-5-fluorobenzene
CID 115482935
2-bromo-1-[bromo-(3,4-diethylphenyl)methyl]-3-fluorobenzene
CID 115482974
4-[bromo-(2-iodophenyl)methyl]-1,2-diethylbenzene
CID 115482992

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[bromo-(3,4-diethylphenyl)methyl]furan?
The IUPAC name of 2-bromo-5-[bromo-(3,4-diethylphenyl)methyl]furan (CID 115483045) is 2-bromo-5-[bromo-(3,4-diethylphenyl)methyl]furan.
What is the SMILES notation for 2-bromo-5-[bromo-(3,4-diethylphenyl)methyl]furan?
The canonical SMILES for 2-bromo-5-[bromo-(3,4-diethylphenyl)methyl]furan is CCc1ccc(C(Br)c2ccc(Br)o2)cc1CC.
What is the InChIKey of 2-bromo-5-[bromo-(3,4-diethylphenyl)methyl]furan?
The InChIKey is GFXIREADTUOIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2O/c1-3-10-5-6-12(9-11(10)4-2)15(17)13-7-8-14(16)18-13/h5-9,15H,3-4H2,1-2H3.
What are the key properties of 2-bromo-5-[bromo-(3,4-diethylphenyl)methyl]furan?
2-bromo-5-[bromo-(3,4-diethylphenyl)methyl]furan has a molecular weight of 372.10 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[bromo-(3,4-diethylphenyl)methyl]furan is sourced from PubChem (CID 115483045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).