2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan

C11H11BrOS — CID 61098751

IUPAC2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan
SMILESCc1cc(C(Br)c2ccco2)c(C)s1
InChIInChI=1S/C11H11BrOS/c1-7-6-9(8(2)14-7)11(12)10-4-3-5-13-10/h3-6,11H,1-2H3
InChIKeySMJNSNIWOBKEHV-UHFFFAOYSA-N
MW271.18 g/mol
LogP4.44
Rot. Bonds2

About 2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan

2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan (PubChem CID 61098751) has the molecular formula C11H11BrOS and a molecular weight of 271.18 g/mol. Its IUPAC name is 2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan.

Molecular Properties

Compound Name2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan
PubChem CID61098751
Molecular FormulaC11H11BrOS
Molecular Weight271.18 g/mol
Exact Mass269.97
IUPAC Name2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan
SMILESCc1cc(C(Br)c2ccco2)c(C)s1
InChIInChI=1S/C11H11BrOS/c1-7-6-9(8(2)14-7)11(12)10-4-3-5-13-10/h3-6,11H,1-2H3
InChIKeySMJNSNIWOBKEHV-UHFFFAOYSA-N
XLogP4.44
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 54.44
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

2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]furan
CID 65283596
3-[bromo-(5-methylthiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63440541
1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515385
2-[bromo-(4,5-dimethoxy-2-methylphenyl)methyl]furan
CID 61096008
3-[bromo-(5-ethylthiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63440927
2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]-5-nitrofuran
CID 61098950
2-[bromo-(2,4,5-trifluorophenyl)methyl]furan
CID 103304265
3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene
CID 107958748
3-[bromo(thiophen-3-yl)methyl]-2,5-dimethylthiophene
CID 61098752
3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene
CID 61097945
3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63797512
(3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol
CID 65278798

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan?
The IUPAC name of 2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan (CID 61098751) is 2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan.
What is the SMILES notation for 2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan?
The canonical SMILES for 2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan is Cc1cc(C(Br)c2ccco2)c(C)s1.
What is the InChIKey of 2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan?
The InChIKey is SMJNSNIWOBKEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrOS/c1-7-6-9(8(2)14-7)11(12)10-4-3-5-13-10/h3-6,11H,1-2H3.
What are the key properties of 2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan?
2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan has a molecular weight of 271.18 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan is sourced from PubChem (CID 61098751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).