3-benzylidene-5-chloro-2-benzofuran-1-one

C15H9ClO2 — CID 156772309

IUPAC3-benzylidene-5-chloro-2-benzofuran-1-one
SMILESO=C1OC(=Cc2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C15H9ClO2/c16-11-6-7-12-13(9-11)14(18-15(12)17)8-10-4-2-1-3-5-10/h1-9H
InChIKeyQRSISCZFDSPUEV-UHFFFAOYSA-N
MW256.69 g/mol
LogP4.01
Rot. Bonds1

About 3-benzylidene-5-chloro-2-benzofuran-1-one

3-benzylidene-5-chloro-2-benzofuran-1-one (PubChem CID 156772309) has the molecular formula C15H9ClO2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-benzylidene-5-chloro-2-benzofuran-1-one.

Molecular Properties

Compound Name3-benzylidene-5-chloro-2-benzofuran-1-one
PubChem CID156772309
Molecular FormulaC15H9ClO2
Molecular Weight256.69 g/mol
Exact Mass256.03
IUPAC Name3-benzylidene-5-chloro-2-benzofuran-1-one
SMILESO=C1OC(=Cc2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C15H9ClO2/c16-11-6-7-12-13(9-11)14(18-15(12)17)8-10-4-2-1-3-5-10/h1-9H
InChIKeyQRSISCZFDSPUEV-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzylidene-5-chloro-2-benzofuran-1-one?
The IUPAC name of 3-benzylidene-5-chloro-2-benzofuran-1-one (CID 156772309) is 3-benzylidene-5-chloro-2-benzofuran-1-one.
What is the SMILES notation for 3-benzylidene-5-chloro-2-benzofuran-1-one?
The canonical SMILES for 3-benzylidene-5-chloro-2-benzofuran-1-one is O=C1OC(=Cc2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 3-benzylidene-5-chloro-2-benzofuran-1-one?
The InChIKey is QRSISCZFDSPUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO2/c16-11-6-7-12-13(9-11)14(18-15(12)17)8-10-4-2-1-3-5-10/h1-9H.
What are the key properties of 3-benzylidene-5-chloro-2-benzofuran-1-one?
3-benzylidene-5-chloro-2-benzofuran-1-one has a molecular weight of 256.69 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylidene-5-chloro-2-benzofuran-1-one is sourced from PubChem (CID 156772309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).