(5Z)-5-benzylidene-3-(4-bromophenyl)furan-2-one

C17H11BrO2 — CID 46228682

IUPAC(5Z)-5-benzylidene-3-(4-bromophenyl)furan-2-one
SMILESO=C1O/C(=C\c2ccccc2)C=C1c1ccc(Br)cc1
InChIInChI=1S/C17H11BrO2/c18-14-8-6-13(7-9-14)16-11-15(20-17(16)19)10-12-4-2-1-3-5-12/h1-11H/b15-10-
InChIKeyBNDXVFFCDVYBFP-GDNBJRDFSA-N
MW327.18 g/mol
LogP4.43
Rot. Bonds2

About (5Z)-5-benzylidene-3-(4-bromophenyl)furan-2-one

(5Z)-5-benzylidene-3-(4-bromophenyl)furan-2-one (PubChem CID 46228682) has the molecular formula C17H11BrO2 and a molecular weight of 327.18 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-(4-bromophenyl)furan-2-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-(4-bromophenyl)furan-2-one
PubChem CID46228682
Molecular FormulaC17H11BrO2
Molecular Weight327.18 g/mol
Exact Mass325.99
IUPAC Name(5Z)-5-benzylidene-3-(4-bromophenyl)furan-2-one
SMILESO=C1O/C(=C\c2ccccc2)C=C1c1ccc(Br)cc1
InChIInChI=1S/C17H11BrO2/c18-14-8-6-13(7-9-14)16-11-15(20-17(16)19)10-12-4-2-1-3-5-12/h1-11H/b15-10-
InChIKeyBNDXVFFCDVYBFP-GDNBJRDFSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-(4-bromophenyl)furan-2-one?
The IUPAC name of (5Z)-5-benzylidene-3-(4-bromophenyl)furan-2-one (CID 46228682) is (5Z)-5-benzylidene-3-(4-bromophenyl)furan-2-one.
What is the SMILES notation for (5Z)-5-benzylidene-3-(4-bromophenyl)furan-2-one?
The canonical SMILES for (5Z)-5-benzylidene-3-(4-bromophenyl)furan-2-one is O=C1O/C(=C\c2ccccc2)C=C1c1ccc(Br)cc1.
What is the InChIKey of (5Z)-5-benzylidene-3-(4-bromophenyl)furan-2-one?
The InChIKey is BNDXVFFCDVYBFP-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H11BrO2/c18-14-8-6-13(7-9-14)16-11-15(20-17(16)19)10-12-4-2-1-3-5-12/h1-11H/b15-10-.
What are the key properties of (5Z)-5-benzylidene-3-(4-bromophenyl)furan-2-one?
(5Z)-5-benzylidene-3-(4-bromophenyl)furan-2-one has a molecular weight of 327.18 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-(4-bromophenyl)furan-2-one is sourced from PubChem (CID 46228682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).