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

C15H17BrO — CID 55222953

IUPAC3-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethylfuran
SMILESCc1ccc(CC(Br)c2cc(C)oc2C)cc1
InChIInChI=1S/C15H17BrO/c1-10-4-6-13(7-5-10)9-15(16)14-8-11(2)17-12(14)3/h4-8,15H,9H2,1-3H3
InChIKeyBQBRCAPFKPSXLZ-UHFFFAOYSA-N
MW293.20 g/mol
LogP4.88
Rot. Bonds3

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

3-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethylfuran (PubChem CID 55222953) has the molecular formula C15H17BrO and a molecular weight of 293.20 g/mol. Its IUPAC name is 3-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethylfuran.

Molecular Properties

Compound Name3-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethylfuran
PubChem CID55222953
Molecular FormulaC15H17BrO
Molecular Weight293.20 g/mol
Exact Mass292.05
IUPAC Name3-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethylfuran
SMILESCc1ccc(CC(Br)c2cc(C)oc2C)cc1
InChIInChI=1S/C15H17BrO/c1-10-4-6-13(7-5-10)9-15(16)14-8-11(2)17-12(14)3/h4-8,15H,9H2,1-3H3
InChIKeyBQBRCAPFKPSXLZ-UHFFFAOYSA-N
XLogP4.88
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.88
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-bromophenyl)ethyl]-2,5-dimethylfuran
CID 63543444
1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 54979824
1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol
CID 114980726
2-[2-bromo-2-(2,5-dimethylfuran-3-yl)ethyl]-1,3-benzoxazole
CID 66460227
1-bromo-4-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzene
CID 105057370
1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine
CID 61078450
1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782163
1-[2-bromo-2-(4-methoxyphenyl)ethyl]-4-methylbenzene
CID 63437164
3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran
CID 63530762
4-[1-bromo-2-(4-methylphenyl)ethyl]-1,2-difluorobenzene
CID 55218629
[1-(2,5-dimethylfuran-3-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105299682
5-[1-bromo-2-(4-methylphenyl)ethyl]-1,3-dihydro-2-benzofuran
CID 55143866

Frequently Asked Questions

What is the IUPAC name of 3-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethylfuran?
The IUPAC name of 3-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethylfuran (CID 55222953) is 3-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethylfuran.
What is the SMILES notation for 3-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethylfuran?
The canonical SMILES for 3-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethylfuran is Cc1ccc(CC(Br)c2cc(C)oc2C)cc1.
What is the InChIKey of 3-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethylfuran?
The InChIKey is BQBRCAPFKPSXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO/c1-10-4-6-13(7-5-10)9-15(16)14-8-11(2)17-12(14)3/h4-8,15H,9H2,1-3H3.
What are the key properties of 3-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethylfuran?
3-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethylfuran has a molecular weight of 293.20 g/mol, XLogP of 4.88, 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-methylphenyl)ethyl]-2,5-dimethylfuran is sourced from PubChem (CID 55222953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).