2-(4-bromophenyl)-5-methylfuran

C11H9BrO — CID 13356219

IUPAC2-(4-bromophenyl)-5-methylfuran
SMILESCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C11H9BrO/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h2-7H,1H3
InChIKeyYZZSMUMVAFOHPZ-UHFFFAOYSA-N
MW237.10 g/mol
LogP4.02
Rot. Bonds1

About 2-(4-bromophenyl)-5-methylfuran

2-(4-bromophenyl)-5-methylfuran (PubChem CID 13356219) has the molecular formula C11H9BrO and a molecular weight of 237.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-methylfuran.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-methylfuran
PubChem CID13356219
Molecular FormulaC11H9BrO
Molecular Weight237.10 g/mol
Exact Mass235.98
IUPAC Name2-(4-bromophenyl)-5-methylfuran
SMILESCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C11H9BrO/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h2-7H,1H3
InChIKeyYZZSMUMVAFOHPZ-UHFFFAOYSA-N
XLogP4.02
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-methylfuran?
The IUPAC name of 2-(4-bromophenyl)-5-methylfuran (CID 13356219) is 2-(4-bromophenyl)-5-methylfuran.
What is the SMILES notation for 2-(4-bromophenyl)-5-methylfuran?
The canonical SMILES for 2-(4-bromophenyl)-5-methylfuran is Cc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-(4-bromophenyl)-5-methylfuran?
The InChIKey is YZZSMUMVAFOHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h2-7H,1H3.
What are the key properties of 2-(4-bromophenyl)-5-methylfuran?
2-(4-bromophenyl)-5-methylfuran has a molecular weight of 237.10 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-methylfuran is sourced from PubChem (CID 13356219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).