(3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran

C15H11ClO — CID 134982021

IUPAC(3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran
SMILESClc1cccc(/C=C2/OCc3ccccc32)c1
InChIInChI=1S/C15H11ClO/c16-13-6-3-4-11(8-13)9-15-14-7-2-1-5-12(14)10-17-15/h1-9H,10H2/b15-9+
InChIKeyNMQQIQBEHMUJGH-OQLLNIDSSA-N
MW242.71 g/mol
LogP4.37
Rot. Bonds1

About (3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran

(3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran (PubChem CID 134982021) has the molecular formula C15H11ClO and a molecular weight of 242.71 g/mol. Its IUPAC name is (3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran.

Molecular Properties

Compound Name(3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran
PubChem CID134982021
Molecular FormulaC15H11ClO
Molecular Weight242.71 g/mol
Exact Mass242.05
IUPAC Name(3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran
SMILESClc1cccc(/C=C2/OCc3ccccc32)c1
InChIInChI=1S/C15H11ClO/c16-13-6-3-4-11(8-13)9-15-14-7-2-1-5-12(14)10-17-15/h1-9H,10H2/b15-9+
InChIKeyNMQQIQBEHMUJGH-OQLLNIDSSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran?
The IUPAC name of (3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran (CID 134982021) is (3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran.
What is the SMILES notation for (3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran?
The canonical SMILES for (3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran is Clc1cccc(/C=C2/OCc3ccccc32)c1.
What is the InChIKey of (3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran?
The InChIKey is NMQQIQBEHMUJGH-OQLLNIDSSA-N. The full InChI is InChI=1S/C15H11ClO/c16-13-6-3-4-11(8-13)9-15-14-7-2-1-5-12(14)10-17-15/h1-9H,10H2/b15-9+.
What are the key properties of (3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran?
(3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran has a molecular weight of 242.71 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran is sourced from PubChem (CID 134982021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).