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

C11H10Cl2OS — CID 102764651

IUPAC4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
SMILESCc1cc(C(Cl)c2cc(C)c(Cl)s2)co1
InChIInChI=1S/C11H10Cl2OS/c1-6-3-9(15-11(6)13)10(12)8-4-7(2)14-5-8/h3-5,10H,1-2H3
InChIKeyCLFBGQKGUSUYJU-UHFFFAOYSA-N
MW261.17 g/mol
LogP4.94
Rot. Bonds2

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

4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran (PubChem CID 102764651) has the molecular formula C11H10Cl2OS and a molecular weight of 261.17 g/mol. Its IUPAC name is 4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran.

Molecular Properties

Compound Name4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
PubChem CID102764651
Molecular FormulaC11H10Cl2OS
Molecular Weight261.17 g/mol
Exact Mass259.98
IUPAC Name4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
SMILESCc1cc(C(Cl)c2cc(C)c(Cl)s2)co1
InChIInChI=1S/C11H10Cl2OS/c1-6-3-9(15-11(6)13)10(12)8-4-7(2)14-5-8/h3-5,10H,1-2H3
InChIKeyCLFBGQKGUSUYJU-UHFFFAOYSA-N
XLogP4.94
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 54.94
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

4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
CID 102764905
3-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2,5-dimethylfuran
CID 102764769
2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene
CID 102764699
2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764820
4-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-2-methylfuran
CID 114822406
2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene
CID 103404938
2-chloro-5-[chloro-(5-chloro-2-methylphenyl)methyl]-3-methylthiophene
CID 102764694
4-[chloro-(4-methylphenyl)methyl]-2-methylfuran
CID 114822398
2-chloro-5-[chloro-(2-chloro-4-methylphenyl)methyl]-3-methylthiophene
CID 106863306
2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 102764724
2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764693
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran?
The IUPAC name of 4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran (CID 102764651) is 4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran.
What is the SMILES notation for 4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran?
The canonical SMILES for 4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran is Cc1cc(C(Cl)c2cc(C)c(Cl)s2)co1.
What is the InChIKey of 4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran?
The InChIKey is CLFBGQKGUSUYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2OS/c1-6-3-9(15-11(6)13)10(12)8-4-7(2)14-5-8/h3-5,10H,1-2H3.
What are the key properties of 4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran?
4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran has a molecular weight of 261.17 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran is sourced from PubChem (CID 102764651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).