2-chloro-5-[chloro-(5-methoxythiophen-2-yl)methyl]furan

C10H8Cl2O2S — CID 130588150

IUPAC2-chloro-5-[chloro-(5-methoxythiophen-2-yl)methyl]furan
SMILESCOc1ccc(C(Cl)c2ccc(Cl)o2)s1
InChIInChI=1S/C10H8Cl2O2S/c1-13-9-5-3-7(15-9)10(12)6-2-4-8(11)14-6/h2-5,10H,1H3
InChIKeyRZJISBCBRHULKR-UHFFFAOYSA-N
MW263.15 g/mol
LogP4.33
Rot. Bonds3

About 2-chloro-5-[chloro-(5-methoxythiophen-2-yl)methyl]furan

2-chloro-5-[chloro-(5-methoxythiophen-2-yl)methyl]furan (PubChem CID 130588150) has the molecular formula C10H8Cl2O2S and a molecular weight of 263.15 g/mol. Its IUPAC name is 2-chloro-5-[chloro-(5-methoxythiophen-2-yl)methyl]furan.

Molecular Properties

Compound Name2-chloro-5-[chloro-(5-methoxythiophen-2-yl)methyl]furan
PubChem CID130588150
Molecular FormulaC10H8Cl2O2S
Molecular Weight263.15 g/mol
Exact Mass261.96
IUPAC Name2-chloro-5-[chloro-(5-methoxythiophen-2-yl)methyl]furan
SMILESCOc1ccc(C(Cl)c2ccc(Cl)o2)s1
InChIInChI=1S/C10H8Cl2O2S/c1-13-9-5-3-7(15-9)10(12)6-2-4-8(11)14-6/h2-5,10H,1H3
InChIKeyRZJISBCBRHULKR-UHFFFAOYSA-N
XLogP4.33
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.15
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorobutan-2-yl)-5-methoxythiophene
CID 130587886
2-chloro-5-(dimethoxymethyl)furan
CID 119084288
2-chloro-5-[chloro-(2,4,6-trimethylphenyl)methyl]furan
CID 106688993
2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan
CID 106689203
3-(5-methoxythiophen-2-yl)butan-2-ol
CID 130587877
2-[chloro-(5-methoxythiophen-2-yl)methyl]-5-methyloxolane
CID 130588157
2-amino-1-(5-methoxythiophen-2-yl)ethanol
CID 130587547
2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan
CID 106688988
furan-2-yl-(5-methoxythiophen-2-yl)methanamine
CID 130587709
(5-bromothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine
CID 106684358
2-[chloro-(5-chlorothiophen-2-yl)methyl]-5-nitrofuran
CID 61084993
cyclobutyl-(5-methoxythiophen-2-yl)methanamine
CID 130587724

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro-(5-methoxythiophen-2-yl)methyl]furan?
The IUPAC name of 2-chloro-5-[chloro-(5-methoxythiophen-2-yl)methyl]furan (CID 130588150) is 2-chloro-5-[chloro-(5-methoxythiophen-2-yl)methyl]furan.
What is the SMILES notation for 2-chloro-5-[chloro-(5-methoxythiophen-2-yl)methyl]furan?
The canonical SMILES for 2-chloro-5-[chloro-(5-methoxythiophen-2-yl)methyl]furan is COc1ccc(C(Cl)c2ccc(Cl)o2)s1.
What is the InChIKey of 2-chloro-5-[chloro-(5-methoxythiophen-2-yl)methyl]furan?
The InChIKey is RZJISBCBRHULKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O2S/c1-13-9-5-3-7(15-9)10(12)6-2-4-8(11)14-6/h2-5,10H,1H3.
What are the key properties of 2-chloro-5-[chloro-(5-methoxythiophen-2-yl)methyl]furan?
2-chloro-5-[chloro-(5-methoxythiophen-2-yl)methyl]furan has a molecular weight of 263.15 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[chloro-(5-methoxythiophen-2-yl)methyl]furan is sourced from PubChem (CID 130588150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).