2-(2,6-dibromo-3,4-dimethylphenyl)furan

C12H10Br2O — CID 168524606

IUPAC2-(2,6-dibromo-3,4-dimethylphenyl)furan
SMILESCc1cc(Br)c(-c2ccco2)c(Br)c1C
InChIInChI=1S/C12H10Br2O/c1-7-6-9(13)11(12(14)8(7)2)10-4-3-5-15-10/h3-6H,1-2H3
InChIKeyIYHUIEPFBJWFJI-UHFFFAOYSA-N
MW330.02 g/mol
LogP5.09
Rot. Bonds1

About 2-(2,6-dibromo-3,4-dimethylphenyl)furan

2-(2,6-dibromo-3,4-dimethylphenyl)furan (PubChem CID 168524606) has the molecular formula C12H10Br2O and a molecular weight of 330.02 g/mol. Its IUPAC name is 2-(2,6-dibromo-3,4-dimethylphenyl)furan.

Molecular Properties

Compound Name2-(2,6-dibromo-3,4-dimethylphenyl)furan
PubChem CID168524606
Molecular FormulaC12H10Br2O
Molecular Weight330.02 g/mol
Exact Mass327.91
IUPAC Name2-(2,6-dibromo-3,4-dimethylphenyl)furan
SMILESCc1cc(Br)c(-c2ccco2)c(Br)c1C
InChIInChI=1S/C12H10Br2O/c1-7-6-9(13)11(12(14)8(7)2)10-4-3-5-15-10/h3-6H,1-2H3
InChIKeyIYHUIEPFBJWFJI-UHFFFAOYSA-N
XLogP5.09
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.02
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-2,6-dimethylphenyl)furan
CID 168526131
2-(2-bromo-6-methylphenyl)furan
CID 168524558
4-bromo-1-(furan-2-yl)-2-methylanthracene-9,10-dione
CID 168525701
2-(2,4-dibromo-3-methylphenyl)furan
CID 168526027
2-(4-bromo-5-chloro-2-methylphenyl)furan
CID 168524424
4,6-dibromo-2,2-difluoro-5-(furan-2-yl)-1,3-benzodioxole
CID 168525408
2-bromo-5-(furan-2-yl)-4-methylbenzoic acid
CID 168525376
2-(4-bromo-2-methyl-5-nitrophenyl)furan
CID 168525004
2-(4-chloro-3,5-dimethylphenyl)furan
CID 168527809
ethane;2-(furan-2-yl)furan
CID 161366084
2-(furan-2-yl)-5-methylbenzene-1,4-diamine
CID 18798879
2-(4-bromo-2-methoxy-3-methylphenyl)furan
CID 168525781

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-3,4-dimethylphenyl)furan?
The IUPAC name of 2-(2,6-dibromo-3,4-dimethylphenyl)furan (CID 168524606) is 2-(2,6-dibromo-3,4-dimethylphenyl)furan.
What is the SMILES notation for 2-(2,6-dibromo-3,4-dimethylphenyl)furan?
The canonical SMILES for 2-(2,6-dibromo-3,4-dimethylphenyl)furan is Cc1cc(Br)c(-c2ccco2)c(Br)c1C.
What is the InChIKey of 2-(2,6-dibromo-3,4-dimethylphenyl)furan?
The InChIKey is IYHUIEPFBJWFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2O/c1-7-6-9(13)11(12(14)8(7)2)10-4-3-5-15-10/h3-6H,1-2H3.
What are the key properties of 2-(2,6-dibromo-3,4-dimethylphenyl)furan?
2-(2,6-dibromo-3,4-dimethylphenyl)furan has a molecular weight of 330.02 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-3,4-dimethylphenyl)furan is sourced from PubChem (CID 168524606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).