4-(3,4-dibromophenyl)-2-methyl-2H-furan-5-one

C11H8Br2O2 — CID 506547

IUPAC4-(3,4-dibromophenyl)-2-methyl-2H-furan-5-one
SMILESCC1C=C(c2ccc(Br)c(Br)c2)C(=O)O1
InChIInChI=1S/C11H8Br2O2/c1-6-4-8(11(14)15-6)7-2-3-9(12)10(13)5-7/h2-6H,1H3
InChIKeyOMCBJHNPHXUIEO-UHFFFAOYSA-N
MW331.99 g/mol
LogP3.54
Rot. Bonds1

About 4-(3,4-dibromophenyl)-2-methyl-2H-furan-5-one

4-(3,4-dibromophenyl)-2-methyl-2H-furan-5-one (PubChem CID 506547) has the molecular formula C11H8Br2O2 and a molecular weight of 331.99 g/mol. Its IUPAC name is 4-(3,4-dibromophenyl)-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name4-(3,4-dibromophenyl)-2-methyl-2H-furan-5-one
PubChem CID506547
Molecular FormulaC11H8Br2O2
Molecular Weight331.99 g/mol
Exact Mass329.89
IUPAC Name4-(3,4-dibromophenyl)-2-methyl-2H-furan-5-one
SMILESCC1C=C(c2ccc(Br)c(Br)c2)C(=O)O1
InChIInChI=1S/C11H8Br2O2/c1-6-4-8(11(14)15-6)7-2-3-9(12)10(13)5-7/h2-6H,1H3
InChIKeyOMCBJHNPHXUIEO-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.99
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluorophenyl)-2-methyl-2H-furan-5-one
CID 506543
4-methyl-3,5-dioxabicyclo[5.3.1]undeca-1(11),7,9-triene-2,6-dione
CID 154020948
[4-(3-bromo-4-methoxyphenyl)-5-oxo-2H-furan-2-yl]methyl 3-chloropropanoate
CID 59008154
1,2-dibromo-4-(2,6-dibromophenyl)benzene
CID 90479486
4-phenyl-2-propan-2-yl-2H-furan-5-one
CID 10703288
2-(3,4-dibromophenyl)pyrimidine
CID 66927296
(2R)-4-(4-fluorophenyl)-2-(2-methylprop-2-enyl)-2H-furan-5-one
CID 164513794
(2S)-4-(4-tert-butylphenyl)-2-prop-2-enyl-2H-furan-5-one
CID 102223760
5-bromo-4-tert-butyl-2-(3,4-dibromophenyl)-1H-pyrimidin-6-one
CID 136782071
(2S)-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one
CID 101036422
4-(3,4-difluorophenyl)-2-methyl-2H-chromene-6-carboxylic acid
CID 58406680
5-bromo-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 11687510

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dibromophenyl)-2-methyl-2H-furan-5-one?
The IUPAC name of 4-(3,4-dibromophenyl)-2-methyl-2H-furan-5-one (CID 506547) is 4-(3,4-dibromophenyl)-2-methyl-2H-furan-5-one.
What is the SMILES notation for 4-(3,4-dibromophenyl)-2-methyl-2H-furan-5-one?
The canonical SMILES for 4-(3,4-dibromophenyl)-2-methyl-2H-furan-5-one is CC1C=C(c2ccc(Br)c(Br)c2)C(=O)O1.
What is the InChIKey of 4-(3,4-dibromophenyl)-2-methyl-2H-furan-5-one?
The InChIKey is OMCBJHNPHXUIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2O2/c1-6-4-8(11(14)15-6)7-2-3-9(12)10(13)5-7/h2-6H,1H3.
What are the key properties of 4-(3,4-dibromophenyl)-2-methyl-2H-furan-5-one?
4-(3,4-dibromophenyl)-2-methyl-2H-furan-5-one has a molecular weight of 331.99 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dibromophenyl)-2-methyl-2H-furan-5-one is sourced from PubChem (CID 506547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).