2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one

C19H11ClO2S — CID 3104017

IUPAC2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
SMILESO=C1C(=Cc2ccc(-c3ccccc3Cl)o2)Sc2ccccc21
InChIInChI=1S/C19H11ClO2S/c20-15-7-3-1-5-13(15)16-10-9-12(22-16)11-18-19(21)14-6-2-4-8-17(14)23-18/h1-11H
InChIKeyYFVQQQAAVGIXKX-UHFFFAOYSA-N
MW338.82 g/mol
LogP5.93
Rot. Bonds2

About 2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one

2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one (PubChem CID 3104017) has the molecular formula C19H11ClO2S and a molecular weight of 338.82 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
PubChem CID3104017
Molecular FormulaC19H11ClO2S
Molecular Weight338.82 g/mol
Exact Mass338.02
IUPAC Name2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
SMILESO=C1C(=Cc2ccc(-c3ccccc3Cl)o2)Sc2ccccc21
InChIInChI=1S/C19H11ClO2S/c20-15-7-3-1-5-13(15)16-10-9-12(22-16)11-18-19(21)14-6-2-4-8-17(14)23-18/h1-11H
InChIKeyYFVQQQAAVGIXKX-UHFFFAOYSA-N
XLogP5.93
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.82
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_I(6)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoic acid
CID 176602237
(2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 2243734
2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 700355
2-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 4532460
(2Z)-2-[[5-(4-phenyldiazenylphenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 50883720
methyl 2-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoate
CID 50883648
(2Z)-2-[[5-(hydroxymethyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 138675424
(2Z)-2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 1001262
5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1236053
(5E)-3-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18840438
(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840354
N'-amino-2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzenecarboximidamide
CID 168893632

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one?
The IUPAC name of 2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one (CID 3104017) is 2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one?
The canonical SMILES for 2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one is O=C1C(=Cc2ccc(-c3ccccc3Cl)o2)Sc2ccccc21.
What is the InChIKey of 2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one?
The InChIKey is YFVQQQAAVGIXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClO2S/c20-15-7-3-1-5-13(15)16-10-9-12(22-16)11-18-19(21)14-6-2-4-8-17(14)23-18/h1-11H.
What are the key properties of 2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one?
2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one has a molecular weight of 338.82 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one is sourced from PubChem (CID 3104017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).