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

C11H10BrClOS — CID 102764905

IUPAC4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
SMILESCc1cc(C(Br)c2cc(C)c(Cl)s2)co1
InChIInChI=1S/C11H10BrClOS/c1-6-3-9(15-11(6)13)10(12)8-4-7(2)14-5-8/h3-5,10H,1-2H3
InChIKeyTYDJHKACBATIJW-UHFFFAOYSA-N
MW305.62 g/mol
LogP5.10
Rot. Bonds2

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

4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran (PubChem CID 102764905) has the molecular formula C11H10BrClOS and a molecular weight of 305.62 g/mol. Its IUPAC name is 4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran.

Molecular Properties

Compound Name4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
PubChem CID102764905
Molecular FormulaC11H10BrClOS
Molecular Weight305.62 g/mol
Exact Mass303.93
IUPAC Name4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
SMILESCc1cc(C(Br)c2cc(C)c(Cl)s2)co1
InChIInChI=1S/C11H10BrClOS/c1-6-3-9(15-11(6)13)10(12)8-4-7(2)14-5-8/h3-5,10H,1-2H3
InChIKeyTYDJHKACBATIJW-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'}

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Related Compounds

4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
CID 102764651
5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764996
2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran
CID 102765077
5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102764860
5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene
CID 102764917
5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102764894
5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764936
4-[bromo-(3,4-dichlorophenyl)methyl]-2-methylfuran
CID 114822530
5-[bromo-(2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764907
5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chloro-3-methylthiophene
CID 102765037
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
5-[bromo-(2-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene
CID 102764964

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran?
The IUPAC name of 4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran (CID 102764905) is 4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran.
What is the SMILES notation for 4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran?
The canonical SMILES for 4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran is Cc1cc(C(Br)c2cc(C)c(Cl)s2)co1.
What is the InChIKey of 4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran?
The InChIKey is TYDJHKACBATIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClOS/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-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran?
4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-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 4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran is sourced from PubChem (CID 102764905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).