(5Z)-5-(bromomethylidene)-3-phenylfuran-2-one

C11H7BrO2 — CID 25130586

IUPAC(5Z)-5-(bromomethylidene)-3-phenylfuran-2-one
SMILESO=C1O/C(=C\Br)C=C1c1ccccc1
InChIInChI=1S/C11H7BrO2/c12-7-9-6-10(11(13)14-9)8-4-2-1-3-5-8/h1-7H/b9-7-
InChIKeySEYHMCJGBNJSOV-CLFYSBASSA-N
MW251.08 g/mol
LogP2.86
Rot. Bonds1

About (5Z)-5-(bromomethylidene)-3-phenylfuran-2-one

(5Z)-5-(bromomethylidene)-3-phenylfuran-2-one (PubChem CID 25130586) has the molecular formula C11H7BrO2 and a molecular weight of 251.08 g/mol. Its IUPAC name is (5Z)-5-(bromomethylidene)-3-phenylfuran-2-one.

Molecular Properties

Compound Name(5Z)-5-(bromomethylidene)-3-phenylfuran-2-one
PubChem CID25130586
Molecular FormulaC11H7BrO2
Molecular Weight251.08 g/mol
Exact Mass249.96
IUPAC Name(5Z)-5-(bromomethylidene)-3-phenylfuran-2-one
SMILESO=C1O/C(=C\Br)C=C1c1ccccc1
InChIInChI=1S/C11H7BrO2/c12-7-9-6-10(11(13)14-9)8-4-2-1-3-5-8/h1-7H/b9-7-
InChIKeySEYHMCJGBNJSOV-CLFYSBASSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(bromomethylidene)-3-phenylfuran-2-one?
The IUPAC name of (5Z)-5-(bromomethylidene)-3-phenylfuran-2-one (CID 25130586) is (5Z)-5-(bromomethylidene)-3-phenylfuran-2-one.
What is the SMILES notation for (5Z)-5-(bromomethylidene)-3-phenylfuran-2-one?
The canonical SMILES for (5Z)-5-(bromomethylidene)-3-phenylfuran-2-one is O=C1O/C(=C\Br)C=C1c1ccccc1.
What is the InChIKey of (5Z)-5-(bromomethylidene)-3-phenylfuran-2-one?
The InChIKey is SEYHMCJGBNJSOV-CLFYSBASSA-N. The full InChI is InChI=1S/C11H7BrO2/c12-7-9-6-10(11(13)14-9)8-4-2-1-3-5-8/h1-7H/b9-7-.
What are the key properties of (5Z)-5-(bromomethylidene)-3-phenylfuran-2-one?
(5Z)-5-(bromomethylidene)-3-phenylfuran-2-one has a molecular weight of 251.08 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(bromomethylidene)-3-phenylfuran-2-one is sourced from PubChem (CID 25130586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).