4-(4-bromophenyl)-2-methyl-2H-furan-5-one

C11H9BrO2 — CID 506545

IUPAC4-(4-bromophenyl)-2-methyl-2H-furan-5-one
SMILESCC1C=C(c2ccc(Br)cc2)C(=O)O1
InChIInChI=1S/C11H9BrO2/c1-7-6-10(11(13)14-7)8-2-4-9(12)5-3-8/h2-7H,1H3
InChIKeyRRKMOJGORKNBGP-UHFFFAOYSA-N
MW253.09 g/mol
LogP2.78
Rot. Bonds1

About 4-(4-bromophenyl)-2-methyl-2H-furan-5-one

4-(4-bromophenyl)-2-methyl-2H-furan-5-one (PubChem CID 506545) has the molecular formula C11H9BrO2 and a molecular weight of 253.09 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-methyl-2H-furan-5-one
PubChem CID506545
Molecular FormulaC11H9BrO2
Molecular Weight253.09 g/mol
Exact Mass251.98
IUPAC Name4-(4-bromophenyl)-2-methyl-2H-furan-5-one
SMILESCC1C=C(c2ccc(Br)cc2)C(=O)O1
InChIInChI=1S/C11H9BrO2/c1-7-6-10(11(13)14-7)8-2-4-9(12)5-3-8/h2-7H,1H3
InChIKeyRRKMOJGORKNBGP-UHFFFAOYSA-N
XLogP2.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-methyl-2H-furan-5-one?
The IUPAC name of 4-(4-bromophenyl)-2-methyl-2H-furan-5-one (CID 506545) is 4-(4-bromophenyl)-2-methyl-2H-furan-5-one.
What is the SMILES notation for 4-(4-bromophenyl)-2-methyl-2H-furan-5-one?
The canonical SMILES for 4-(4-bromophenyl)-2-methyl-2H-furan-5-one is CC1C=C(c2ccc(Br)cc2)C(=O)O1.
What is the InChIKey of 4-(4-bromophenyl)-2-methyl-2H-furan-5-one?
The InChIKey is RRKMOJGORKNBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2/c1-7-6-10(11(13)14-7)8-2-4-9(12)5-3-8/h2-7H,1H3.
What are the key properties of 4-(4-bromophenyl)-2-methyl-2H-furan-5-one?
4-(4-bromophenyl)-2-methyl-2H-furan-5-one has a molecular weight of 253.09 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-methyl-2H-furan-5-one is sourced from PubChem (CID 506545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).