[(2Z)-2-[4-(4-bromophenyl)-5-oxofuran-2-ylidene]ethyl] benzoate

C19H13BrO4 — CID 46228707

IUPAC[(2Z)-2-[4-(4-bromophenyl)-5-oxofuran-2-ylidene]ethyl] benzoate
SMILESO=C1O/C(=C\COC(=O)c2ccccc2)C=C1c1ccc(Br)cc1
InChIInChI=1S/C19H13BrO4/c20-15-8-6-13(7-9-15)17-12-16(24-19(17)22)10-11-23-18(21)14-4-2-1-3-5-14/h1-10,12H,11H2/b16-10-
InChIKeyWTMHDAVIKALVDB-YBEGLDIGSA-N
MW385.21 g/mol
LogP4.13
Rot. Bonds4

About [(2Z)-2-[4-(4-bromophenyl)-5-oxofuran-2-ylidene]ethyl] benzoate

[(2Z)-2-[4-(4-bromophenyl)-5-oxofuran-2-ylidene]ethyl] benzoate (PubChem CID 46228707) has the molecular formula C19H13BrO4 and a molecular weight of 385.21 g/mol. Its IUPAC name is [(2Z)-2-[4-(4-bromophenyl)-5-oxofuran-2-ylidene]ethyl] benzoate.

Molecular Properties

Compound Name[(2Z)-2-[4-(4-bromophenyl)-5-oxofuran-2-ylidene]ethyl] benzoate
PubChem CID46228707
Molecular FormulaC19H13BrO4
Molecular Weight385.21 g/mol
Exact Mass384.00
IUPAC Name[(2Z)-2-[4-(4-bromophenyl)-5-oxofuran-2-ylidene]ethyl] benzoate
SMILESO=C1O/C(=C\COC(=O)c2ccccc2)C=C1c1ccc(Br)cc1
InChIInChI=1S/C19H13BrO4/c20-15-8-6-13(7-9-15)17-12-16(24-19(17)22)10-11-23-18(21)14-4-2-1-3-5-14/h1-10,12H,11H2/b16-10-
InChIKeyWTMHDAVIKALVDB-YBEGLDIGSA-N
XLogP4.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3Z)-3-[4-(4-bromophenyl)-5-oxofuran-2-ylidene]propyl] acetate
CID 46228708
prop-2-enyl 4-(4-bromophenyl)benzoate
CID 67763944
3-(4-bromophenyl)furan-2,5-dione
CID 602818
[(E)-4-bromobut-2-enyl] benzoate
CID 14236878
benzyl 4-bromobenzoate
CID 603177
sodium;hydride;2-oxoethyl benzoate
CID 173453150
[(E)-but-2-enyl] benzoate
CID 5352600
formic acid;prop-2-enyl benzoate
CID 174813743
[2-(4-bromophenyl)-2-oxoethyl] 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 1277161
[(E)-4-oxobut-2-enyl] benzoate
CID 10943265
[(2E)-4-bromopenta-2,4-dienyl] benzoate
CID 154719815
[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate
CID 7868379

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-[4-(4-bromophenyl)-5-oxofuran-2-ylidene]ethyl] benzoate?
The IUPAC name of [(2Z)-2-[4-(4-bromophenyl)-5-oxofuran-2-ylidene]ethyl] benzoate (CID 46228707) is [(2Z)-2-[4-(4-bromophenyl)-5-oxofuran-2-ylidene]ethyl] benzoate.
What is the SMILES notation for [(2Z)-2-[4-(4-bromophenyl)-5-oxofuran-2-ylidene]ethyl] benzoate?
The canonical SMILES for [(2Z)-2-[4-(4-bromophenyl)-5-oxofuran-2-ylidene]ethyl] benzoate is O=C1O/C(=C\COC(=O)c2ccccc2)C=C1c1ccc(Br)cc1.
What is the InChIKey of [(2Z)-2-[4-(4-bromophenyl)-5-oxofuran-2-ylidene]ethyl] benzoate?
The InChIKey is WTMHDAVIKALVDB-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H13BrO4/c20-15-8-6-13(7-9-15)17-12-16(24-19(17)22)10-11-23-18(21)14-4-2-1-3-5-14/h1-10,12H,11H2/b16-10-.
What are the key properties of [(2Z)-2-[4-(4-bromophenyl)-5-oxofuran-2-ylidene]ethyl] benzoate?
[(2Z)-2-[4-(4-bromophenyl)-5-oxofuran-2-ylidene]ethyl] benzoate has a molecular weight of 385.21 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-[4-(4-bromophenyl)-5-oxofuran-2-ylidene]ethyl] benzoate is sourced from PubChem (CID 46228707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).