3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran

C12H12BrClOS — CID 65152479

IUPAC3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran
SMILESCc1oc(C)c(C(Cl)c2ccc(Br)s2)c1C
InChIInChI=1S/C12H12BrClOS/c1-6-7(2)15-8(3)11(6)12(14)9-4-5-10(13)16-9/h4-5,12H,1-3H3
InChIKeyGQJDQVKCMBFARE-UHFFFAOYSA-N
MW319.65 g/mol
LogP5.36
Rot. Bonds2

About 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran

3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran (PubChem CID 65152479) has the molecular formula C12H12BrClOS and a molecular weight of 319.65 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran
PubChem CID65152479
Molecular FormulaC12H12BrClOS
Molecular Weight319.65 g/mol
Exact Mass317.95
IUPAC Name3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran
SMILESCc1oc(C)c(C(Cl)c2ccc(Br)s2)c1C
InChIInChI=1S/C12H12BrClOS/c1-6-7(2)15-8(3)11(6)12(14)9-4-5-10(13)16-9/h4-5,12H,1-3H3
InChIKeyGQJDQVKCMBFARE-UHFFFAOYSA-N
XLogP5.36
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.65
LogP ≤ 55.36
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

(5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153269
3-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran
CID 79991587
3-[chloro(thiophen-2-yl)methyl]-2,4,5-trimethylfuran
CID 65152525
2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene
CID 79997011
2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene
CID 63431036
2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene
CID 107099110
3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene
CID 63432587
3-[chloro-(3,4-dimethylphenyl)methyl]-2,4,5-trimethylfuran
CID 65152086
3-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-2,4,5-trimethylfuran
CID 65152236
2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene
CID 107957784
2-[(3-bromo-2,4,6-trimethylphenyl)-chloromethyl]-5-ethylthiophene
CID 114249314
2-bromo-5-[chloro-(4-propan-2-yloxyphenyl)methyl]thiophene
CID 63432334

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran?
The IUPAC name of 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran (CID 65152479) is 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran is Cc1oc(C)c(C(Cl)c2ccc(Br)s2)c1C.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran?
The InChIKey is GQJDQVKCMBFARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClOS/c1-6-7(2)15-8(3)11(6)12(14)9-4-5-10(13)16-9/h4-5,12H,1-3H3.
What are the key properties of 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran?
3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran has a molecular weight of 319.65 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)-chloromethyl]-2,4,5-trimethylfuran is sourced from PubChem (CID 65152479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).