2-(2,4-dibromo-3-methylphenyl)furan

C11H8Br2O — CID 168526027

IUPAC2-(2,4-dibromo-3-methylphenyl)furan
SMILESCc1c(Br)ccc(-c2ccco2)c1Br
InChIInChI=1S/C11H8Br2O/c1-7-9(12)5-4-8(11(7)13)10-3-2-6-14-10/h2-6H,1H3
InChIKeyKUZFVYQNOBVPES-UHFFFAOYSA-N
MW315.99 g/mol
LogP4.78
Rot. Bonds1

About 2-(2,4-dibromo-3-methylphenyl)furan

2-(2,4-dibromo-3-methylphenyl)furan (PubChem CID 168526027) has the molecular formula C11H8Br2O and a molecular weight of 315.99 g/mol. Its IUPAC name is 2-(2,4-dibromo-3-methylphenyl)furan.

Molecular Properties

Compound Name2-(2,4-dibromo-3-methylphenyl)furan
PubChem CID168526027
Molecular FormulaC11H8Br2O
Molecular Weight315.99 g/mol
Exact Mass313.89
IUPAC Name2-(2,4-dibromo-3-methylphenyl)furan
SMILESCc1c(Br)ccc(-c2ccco2)c1Br
InChIInChI=1S/C11H8Br2O/c1-7-9(12)5-4-8(11(7)13)10-3-2-6-14-10/h2-6H,1H3
InChIKeyKUZFVYQNOBVPES-UHFFFAOYSA-N
XLogP4.78
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.99
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-methoxy-3-methylphenyl)furan
CID 168525781
2-(3-bromo-2,6-dimethylphenyl)furan
CID 168526131
2-(2-bromo-4-methoxyphenyl)furan
CID 168524550
2-(2,6-dibromo-3,4-dimethylphenyl)furan
CID 168524606
2-(2-bromo-4-propan-2-ylphenyl)furan
CID 168524611
2-(4-bromo-5-chloro-2-methylphenyl)furan
CID 168524424
2-(2,3-difluoro-4-methylphenyl)furan
CID 168528076
ethane;2-(furan-2-yl)furan
CID 161366084
ethane;2-(2-methylphenyl)furan
CID 142082580
2-(2-bromo-6-methylphenyl)furan
CID 168524558
2-bromo-5-(furan-2-yl)-4-methylbenzoic acid
CID 168525376
3-bromo-2-chloro-6-(furan-2-yl)benzoic acid
CID 168525828

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-3-methylphenyl)furan?
The IUPAC name of 2-(2,4-dibromo-3-methylphenyl)furan (CID 168526027) is 2-(2,4-dibromo-3-methylphenyl)furan.
What is the SMILES notation for 2-(2,4-dibromo-3-methylphenyl)furan?
The canonical SMILES for 2-(2,4-dibromo-3-methylphenyl)furan is Cc1c(Br)ccc(-c2ccco2)c1Br.
What is the InChIKey of 2-(2,4-dibromo-3-methylphenyl)furan?
The InChIKey is KUZFVYQNOBVPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2O/c1-7-9(12)5-4-8(11(7)13)10-3-2-6-14-10/h2-6H,1H3.
What are the key properties of 2-(2,4-dibromo-3-methylphenyl)furan?
2-(2,4-dibromo-3-methylphenyl)furan has a molecular weight of 315.99 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-3-methylphenyl)furan is sourced from PubChem (CID 168526027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).