2-(4-bromophenyl)-3,4-dimethylfuran

C12H11BrO — CID 132507630

IUPAC2-(4-bromophenyl)-3,4-dimethylfuran
SMILESCc1coc(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C12H11BrO/c1-8-7-14-12(9(8)2)10-3-5-11(13)6-4-10/h3-7H,1-2H3
InChIKeyANNGEVZONKTVTM-UHFFFAOYSA-N
MW251.12 g/mol
LogP4.33
Rot. Bonds1

About 2-(4-bromophenyl)-3,4-dimethylfuran

2-(4-bromophenyl)-3,4-dimethylfuran (PubChem CID 132507630) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3,4-dimethylfuran.

Molecular Properties

Compound Name2-(4-bromophenyl)-3,4-dimethylfuran
PubChem CID132507630
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name2-(4-bromophenyl)-3,4-dimethylfuran
SMILESCc1coc(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C12H11BrO/c1-8-7-14-12(9(8)2)10-3-5-11(13)6-4-10/h3-7H,1-2H3
InChIKeyANNGEVZONKTVTM-UHFFFAOYSA-N
XLogP4.33
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3,4-dimethylfuran?
The IUPAC name of 2-(4-bromophenyl)-3,4-dimethylfuran (CID 132507630) is 2-(4-bromophenyl)-3,4-dimethylfuran.
What is the SMILES notation for 2-(4-bromophenyl)-3,4-dimethylfuran?
The canonical SMILES for 2-(4-bromophenyl)-3,4-dimethylfuran is Cc1coc(-c2ccc(Br)cc2)c1C.
What is the InChIKey of 2-(4-bromophenyl)-3,4-dimethylfuran?
The InChIKey is ANNGEVZONKTVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO/c1-8-7-14-12(9(8)2)10-3-5-11(13)6-4-10/h3-7H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-3,4-dimethylfuran?
2-(4-bromophenyl)-3,4-dimethylfuran has a molecular weight of 251.12 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3,4-dimethylfuran is sourced from PubChem (CID 132507630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).