methyl 5-(2,4-dibromophenyl)furan-2-carboxylate

C12H8Br2O3 — CID 95910400

IUPACmethyl 5-(2,4-dibromophenyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C12H8Br2O3/c1-16-12(15)11-5-4-10(17-11)8-3-2-7(13)6-9(8)14/h2-6H,1H3
InChIKeyLNPARCVKYLZGPE-UHFFFAOYSA-N
MW360.00 g/mol
LogP4.26
Rot. Bonds2

About methyl 5-(2,4-dibromophenyl)furan-2-carboxylate

methyl 5-(2,4-dibromophenyl)furan-2-carboxylate (PubChem CID 95910400) has the molecular formula C12H8Br2O3 and a molecular weight of 360.00 g/mol. Its IUPAC name is methyl 5-(2,4-dibromophenyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,4-dibromophenyl)furan-2-carboxylate
PubChem CID95910400
Molecular FormulaC12H8Br2O3
Molecular Weight360.00 g/mol
Exact Mass357.88
IUPAC Namemethyl 5-(2,4-dibromophenyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C12H8Br2O3/c1-16-12(15)11-5-4-10(17-11)8-3-2-7(13)6-9(8)14/h2-6H,1H3
InChIKeyLNPARCVKYLZGPE-UHFFFAOYSA-N
XLogP4.26
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.00
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 170871893
5-(2,4-dibromophenyl)furan-2-carbonyl chloride
CID 17274076
methyl 1-[5-(2,4-dibromophenyl)furan-2-carbonyl]-2-methylindole-3-carboxylate
CID 100817377
5-(2-bromo-4-methoxyphenyl)furan-2-carbohydrazide
CID 50879299
methyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate
CID 7175940
2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid
CID 66527849
N-(2-amino-4-bromophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 91687510
1-[5-(2,5-dibromophenyl)furan-2-yl]propan-1-one
CID 62631513
5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide
CID 50879311
[(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate
CID 91674121
5-(4-amino-2-bromophenyl)furan-2-carboxylic acid
CID 95911190
(E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide
CID 91678298

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,4-dibromophenyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(2,4-dibromophenyl)furan-2-carboxylate (CID 95910400) is methyl 5-(2,4-dibromophenyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(2,4-dibromophenyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(2,4-dibromophenyl)furan-2-carboxylate is COC(=O)c1ccc(-c2ccc(Br)cc2Br)o1.
What is the InChIKey of methyl 5-(2,4-dibromophenyl)furan-2-carboxylate?
The InChIKey is LNPARCVKYLZGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2O3/c1-16-12(15)11-5-4-10(17-11)8-3-2-7(13)6-9(8)14/h2-6H,1H3.
What are the key properties of methyl 5-(2,4-dibromophenyl)furan-2-carboxylate?
methyl 5-(2,4-dibromophenyl)furan-2-carboxylate has a molecular weight of 360.00 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,4-dibromophenyl)furan-2-carboxylate is sourced from PubChem (CID 95910400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).