3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran

C12H12Cl2OS — CID 102764769

IUPAC3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran
SMILESCc1cc(C(Cl)c2cc(C)c(Cl)s2)c(C)o1
InChIInChI=1S/C12H12Cl2OS/c1-6-4-10(16-12(6)14)11(13)9-5-7(2)15-8(9)3/h4-5,11H,1-3H3
InChIKeyWWNSQNIZIVJDHV-UHFFFAOYSA-N
MW275.20 g/mol
LogP5.25
Rot. Bonds2

About 3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran

3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran (PubChem CID 102764769) has the molecular formula C12H12Cl2OS and a molecular weight of 275.20 g/mol. Its IUPAC name is 3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran.

Molecular Properties

Compound Name3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran
PubChem CID102764769
Molecular FormulaC12H12Cl2OS
Molecular Weight275.20 g/mol
Exact Mass274.00
IUPAC Name3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran
SMILESCc1cc(C(Cl)c2cc(C)c(Cl)s2)c(C)o1
InChIInChI=1S/C12H12Cl2OS/c1-6-4-10(16-12(6)14)11(13)9-5-7(2)15-8(9)3/h4-5,11H,1-3H3
InChIKeyWWNSQNIZIVJDHV-UHFFFAOYSA-N
XLogP5.25
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.20
LogP ≤ 55.25
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

N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 102764082
4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
CID 102764651
2-chloro-5-[chloro-(5-chloro-2-methylphenyl)methyl]-3-methylthiophene
CID 102764694
2-chloro-5-[chloro-(2-chloro-4-methylphenyl)methyl]-3-methylthiophene
CID 106863306
2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764693
5-[(2-bromo-3-methylphenyl)-chloromethyl]-2-chloro-3-methylthiophene
CID 107983647
5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene
CID 102764800
2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene
CID 103404938
2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene
CID 102764699
2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 102764724
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764820

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran?
The IUPAC name of 3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran (CID 102764769) is 3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran.
What is the SMILES notation for 3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran?
The canonical SMILES for 3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran is Cc1cc(C(Cl)c2cc(C)c(Cl)s2)c(C)o1.
What is the InChIKey of 3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran?
The InChIKey is WWNSQNIZIVJDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2OS/c1-6-4-10(16-12(6)14)11(13)9-5-7(2)15-8(9)3/h4-5,11H,1-3H3.
What are the key properties of 3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran?
3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran has a molecular weight of 275.20 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran is sourced from PubChem (CID 102764769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).