3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran

C15H16BrClO — CID 65152060

IUPAC3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran
SMILESCc1oc(C)c(C(Br)Cc2ccccc2Cl)c1C
InChIInChI=1S/C15H16BrClO/c1-9-10(2)18-11(3)15(9)13(16)8-12-6-4-5-7-14(12)17/h4-7,13H,8H2,1-3H3
InChIKeyQJQANKDGIRIOMS-UHFFFAOYSA-N
MW327.65 g/mol
LogP5.54
Rot. Bonds3

About 3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran

3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran (PubChem CID 65152060) has the molecular formula C15H16BrClO and a molecular weight of 327.65 g/mol. Its IUPAC name is 3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran.

Molecular Properties

Compound Name3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran
PubChem CID65152060
Molecular FormulaC15H16BrClO
Molecular Weight327.65 g/mol
Exact Mass326.01
IUPAC Name3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran
SMILESCc1oc(C)c(C(Br)Cc2ccccc2Cl)c1C
InChIInChI=1S/C15H16BrClO/c1-9-10(2)18-11(3)15(9)13(16)8-12-6-4-5-7-14(12)17/h4-7,13H,8H2,1-3H3
InChIKeyQJQANKDGIRIOMS-UHFFFAOYSA-N
XLogP5.54
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.65
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran 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

2-(2-chlorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 65152747
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene
CID 63543588
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene
CID 63543762
2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine
CID 66453095
4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene
CID 113397323
1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene
CID 63437373
2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
CID 43110651
4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63445154
3-bromo-4-(2-chlorophenyl)butan-2-one
CID 62395500
3-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2,4,5-trimethylfuran
CID 65152402
2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153486
2-(2-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43103860

Frequently Asked Questions

What is the IUPAC name of 3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran?
The IUPAC name of 3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran (CID 65152060) is 3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran.
What is the SMILES notation for 3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran?
The canonical SMILES for 3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran is Cc1oc(C)c(C(Br)Cc2ccccc2Cl)c1C.
What is the InChIKey of 3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran?
The InChIKey is QJQANKDGIRIOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClO/c1-9-10(2)18-11(3)15(9)13(16)8-12-6-4-5-7-14(12)17/h4-7,13H,8H2,1-3H3.
What are the key properties of 3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran?
3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran has a molecular weight of 327.65 g/mol, XLogP of 5.54, 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-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran is sourced from PubChem (CID 65152060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).