2-(4-bromo-5-chloro-2-methylphenyl)furan

C11H8BrClO — CID 168524424

IUPAC2-(4-bromo-5-chloro-2-methylphenyl)furan
SMILESCc1cc(Br)c(Cl)cc1-c1ccco1
InChIInChI=1S/C11H8BrClO/c1-7-5-9(12)10(13)6-8(7)11-3-2-4-14-11/h2-6H,1H3
InChIKeyPLZMGTIRXYOPPH-UHFFFAOYSA-N
MW271.54 g/mol
LogP4.67
Rot. Bonds1

About 2-(4-bromo-5-chloro-2-methylphenyl)furan

2-(4-bromo-5-chloro-2-methylphenyl)furan (PubChem CID 168524424) has the molecular formula C11H8BrClO and a molecular weight of 271.54 g/mol. Its IUPAC name is 2-(4-bromo-5-chloro-2-methylphenyl)furan.

Molecular Properties

Compound Name2-(4-bromo-5-chloro-2-methylphenyl)furan
PubChem CID168524424
Molecular FormulaC11H8BrClO
Molecular Weight271.54 g/mol
Exact Mass269.94
IUPAC Name2-(4-bromo-5-chloro-2-methylphenyl)furan
SMILESCc1cc(Br)c(Cl)cc1-c1ccco1
InChIInChI=1S/C11H8BrClO/c1-7-5-9(12)10(13)6-8(7)11-3-2-4-14-11/h2-6H,1H3
InChIKeyPLZMGTIRXYOPPH-UHFFFAOYSA-N
XLogP4.67
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.54
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chloro-2-methylphenyl)furan?
The IUPAC name of 2-(4-bromo-5-chloro-2-methylphenyl)furan (CID 168524424) is 2-(4-bromo-5-chloro-2-methylphenyl)furan.
What is the SMILES notation for 2-(4-bromo-5-chloro-2-methylphenyl)furan?
The canonical SMILES for 2-(4-bromo-5-chloro-2-methylphenyl)furan is Cc1cc(Br)c(Cl)cc1-c1ccco1.
What is the InChIKey of 2-(4-bromo-5-chloro-2-methylphenyl)furan?
The InChIKey is PLZMGTIRXYOPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClO/c1-7-5-9(12)10(13)6-8(7)11-3-2-4-14-11/h2-6H,1H3.
What are the key properties of 2-(4-bromo-5-chloro-2-methylphenyl)furan?
2-(4-bromo-5-chloro-2-methylphenyl)furan has a molecular weight of 271.54 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chloro-2-methylphenyl)furan is sourced from PubChem (CID 168524424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).