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

C19H11ClO2S — CID 2243734

IUPAC(2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
SMILESO=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)Sc2ccccc21
InChIInChI=1S/C19H11ClO2S/c20-13-5-3-4-12(10-13)16-9-8-14(22-16)11-18-19(21)15-6-1-2-7-17(15)23-18/h1-11H/b18-11-
InChIKeyGQYZOJWGABEMDC-WQRHYEAKSA-N
MW338.82 g/mol
LogP5.93
Rot. Bonds2

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

(2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one (PubChem CID 2243734) has the molecular formula C19H11ClO2S and a molecular weight of 338.82 g/mol. Its IUPAC name is (2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one.

Molecular Properties

Compound Name(2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
PubChem CID2243734
Molecular FormulaC19H11ClO2S
Molecular Weight338.82 g/mol
Exact Mass338.02
IUPAC Name(2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
SMILESO=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)Sc2ccccc21
InChIInChI=1S/C19H11ClO2S/c20-13-5-3-4-12(10-13)16-9-8-14(22-16)11-18-19(21)15-6-1-2-7-17(15)23-18/h1-11H/b18-11-
InChIKeyGQYZOJWGABEMDC-WQRHYEAKSA-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

2-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 4532460
2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 3104017
(2Z)-2-[[5-(4-phenyldiazenylphenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 50883720
3-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]-N-propan-2-ylbenzamide
CID 168893561
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1369930
4-chloro-3-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoic acid
CID 176602237
2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 700355
2-amino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 2853806
N'-amino-2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzenecarboximidamide
CID 168893632
(2Z)-2-[[5-(hydroxymethyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 138675424
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 2185982
2-hydroxy-5-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]-N'-phenylbenzohydrazide
CID 168893620

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one?
The IUPAC name of (2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one (CID 2243734) is (2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one.
What is the SMILES notation for (2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one?
The canonical SMILES for (2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one is O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)Sc2ccccc21.
What is the InChIKey of (2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one?
The InChIKey is GQYZOJWGABEMDC-WQRHYEAKSA-N. The full InChI is InChI=1S/C19H11ClO2S/c20-13-5-3-4-12(10-13)16-9-8-14(22-16)11-18-19(21)15-6-1-2-7-17(15)23-18/h1-11H/b18-11-.
What are the key properties of (2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one?
(2Z)-2-[[5-(3-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 (2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one is sourced from PubChem (CID 2243734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).