2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran

C11H10BrClOS — CID 102765077

IUPAC2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran
SMILESCc1ccoc1C(Br)c1cc(C)c(Cl)s1
InChIInChI=1S/C11H10BrClOS/c1-6-3-4-14-10(6)9(12)8-5-7(2)11(13)15-8/h3-5,9H,1-2H3
InChIKeyGRWFFJZTGAPTIH-UHFFFAOYSA-N
MW305.62 g/mol
LogP5.10
Rot. Bonds2

About 2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran

2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran (PubChem CID 102765077) has the molecular formula C11H10BrClOS and a molecular weight of 305.62 g/mol. Its IUPAC name is 2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran.

Molecular Properties

Compound Name2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran
PubChem CID102765077
Molecular FormulaC11H10BrClOS
Molecular Weight305.62 g/mol
Exact Mass303.93
IUPAC Name2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran
SMILESCc1ccoc1C(Br)c1cc(C)c(Cl)s1
InChIInChI=1S/C11H10BrClOS/c1-6-3-4-14-10(6)9(12)8-5-7(2)11(13)15-8/h3-5,9H,1-2H3
InChIKeyGRWFFJZTGAPTIH-UHFFFAOYSA-N
XLogP5.10
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.62
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran 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

4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
CID 102764905
5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102764894
5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764996
5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102764860
5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764936
(5-bromo-4-methylthiophen-2-yl)-(3-methylfuran-2-yl)methanol
CID 79991143
5-[bromo-(2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764907
5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chloro-3-methylthiophene
CID 102765037
5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764921
5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102765008
5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene
CID 102764917
5-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764930

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran?
The IUPAC name of 2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran (CID 102765077) is 2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran.
What is the SMILES notation for 2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran?
The canonical SMILES for 2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran is Cc1ccoc1C(Br)c1cc(C)c(Cl)s1.
What is the InChIKey of 2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran?
The InChIKey is GRWFFJZTGAPTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClOS/c1-6-3-4-14-10(6)9(12)8-5-7(2)11(13)15-8/h3-5,9H,1-2H3.
What are the key properties of 2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran?
2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran has a molecular weight of 305.62 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran is sourced from PubChem (CID 102765077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).