3-(4-bromophenyl)-5-methylidenefuran-2-one

C11H7BrO2 — CID 46228631

IUPAC3-(4-bromophenyl)-5-methylidenefuran-2-one
SMILESC=C1C=C(c2ccc(Br)cc2)C(=O)O1
InChIInChI=1S/C11H7BrO2/c1-7-6-10(11(13)14-7)8-2-4-9(12)5-3-8/h2-6H,1H2
InChIKeyLJEVMSHMFHOPOR-UHFFFAOYSA-N
MW251.08 g/mol
LogP2.90
Rot. Bonds1

About 3-(4-bromophenyl)-5-methylidenefuran-2-one

3-(4-bromophenyl)-5-methylidenefuran-2-one (PubChem CID 46228631) has the molecular formula C11H7BrO2 and a molecular weight of 251.08 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-methylidenefuran-2-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-methylidenefuran-2-one
PubChem CID46228631
Molecular FormulaC11H7BrO2
Molecular Weight251.08 g/mol
Exact Mass249.96
IUPAC Name3-(4-bromophenyl)-5-methylidenefuran-2-one
SMILESC=C1C=C(c2ccc(Br)cc2)C(=O)O1
InChIInChI=1S/C11H7BrO2/c1-7-6-10(11(13)14-7)8-2-4-9(12)5-3-8/h2-6H,1H2
InChIKeyLJEVMSHMFHOPOR-UHFFFAOYSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 4-bromobenzoate
CID 12081
benzoic acid, p-bromo-, sodium salt
CID 23690998
Phenylmaleic anhydride
CID 99174
3-(4-Bromophenyl)-5-acetyloxymethyl-2H,5H-furan-2-one
CID 487998
3-(4-Bromophenyl)-5-pivaloyloxymethyl-2H,5H-furan-2-one
CID 487999
Methyl 2-(4-bromophenyl)acetate
CID 316783
Benzyl 4-bromobenzoate
CID 603177
Ethyl 2-(4-bromophenyl)acetate
CID 7020609
Ethyl 4-bromo-2-fluorobenzoate
CID 22031817
3-(4-Bromo-phenyl)-8-oxa-bicyclo[3.2.1]oct-2-ene-2-carboxylic acid methyl ester
CID 23449981
4-(4-bromophenyl)-2-(hydroxymethyl)-2H-furan-5-one
CID 487987
4-(4-bromophenyl)-2-methyl-2H-furan-5-one
CID 506545

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-methylidenefuran-2-one?
The IUPAC name of 3-(4-bromophenyl)-5-methylidenefuran-2-one (CID 46228631) is 3-(4-bromophenyl)-5-methylidenefuran-2-one.
What is the SMILES notation for 3-(4-bromophenyl)-5-methylidenefuran-2-one?
The canonical SMILES for 3-(4-bromophenyl)-5-methylidenefuran-2-one is C=C1C=C(c2ccc(Br)cc2)C(=O)O1.
What is the InChIKey of 3-(4-bromophenyl)-5-methylidenefuran-2-one?
The InChIKey is LJEVMSHMFHOPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO2/c1-7-6-10(11(13)14-7)8-2-4-9(12)5-3-8/h2-6H,1H2.
What are the key properties of 3-(4-bromophenyl)-5-methylidenefuran-2-one?
3-(4-bromophenyl)-5-methylidenefuran-2-one has a molecular weight of 251.08 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-methylidenefuran-2-one is sourced from PubChem (CID 46228631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).