3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran

C14H14Br2O — CID 63543444

IUPAC3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran
SMILESCc1cc(C(Br)Cc2ccc(Br)cc2)c(C)o1
InChIInChI=1S/C14H14Br2O/c1-9-7-13(10(2)17-9)14(16)8-11-3-5-12(15)6-4-11/h3-7,14H,8H2,1-2H3
InChIKeyRMMFOXIPXJFEHC-UHFFFAOYSA-N
MW358.07 g/mol
LogP5.34
Rot. Bonds3

About 3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran

3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran (PubChem CID 63543444) has the molecular formula C14H14Br2O and a molecular weight of 358.07 g/mol. Its IUPAC name is 3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran.

Molecular Properties

Compound Name3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran
PubChem CID63543444
Molecular FormulaC14H14Br2O
Molecular Weight358.07 g/mol
Exact Mass355.94
IUPAC Name3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran
SMILESCc1cc(C(Br)Cc2ccc(Br)cc2)c(C)o1
InChIInChI=1S/C14H14Br2O/c1-9-7-13(10(2)17-9)14(16)8-11-3-5-12(15)6-4-11/h3-7,14H,8H2,1-2H3
InChIKeyRMMFOXIPXJFEHC-UHFFFAOYSA-N
XLogP5.34
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.07
LogP ≤ 55.34
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

3-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethylfuran
CID 55222953
1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene
CID 79730434
2-[1-bromo-2-(4-bromophenyl)ethyl]-5-chlorofuran
CID 106689779
1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol
CID 114980726
1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 54979824
4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-methoxybenzene
CID 115370103
1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304095
2-[2-bromo-2-(2,5-dimethylfuran-3-yl)ethyl]-1,3-benzoxazole
CID 66460227
1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine
CID 61078450
1-bromo-4-(2-bromopropyl)benzene
CID 63017795
4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-chlorobenzene
CID 63542411
4-[2-bromo-2-(4-bromo-2-methylphenyl)ethyl]pyridine
CID 66455489

Frequently Asked Questions

What is the IUPAC name of 3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran?
The IUPAC name of 3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran (CID 63543444) is 3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran.
What is the SMILES notation for 3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran?
The canonical SMILES for 3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran is Cc1cc(C(Br)Cc2ccc(Br)cc2)c(C)o1.
What is the InChIKey of 3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran?
The InChIKey is RMMFOXIPXJFEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2O/c1-9-7-13(10(2)17-9)14(16)8-11-3-5-12(15)6-4-11/h3-7,14H,8H2,1-2H3.
What are the key properties of 3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran?
3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran has a molecular weight of 358.07 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-bromo-2-(4-bromophenyl)ethyl]-2,5-dimethylfuran is sourced from PubChem (CID 63543444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).