(2Z)-2-[(5-chlorothiophen-2-yl)methylidene]-1-benzofuran-3-one

C13H7ClO2S — CID 142733229

IUPAC(2Z)-2-[(5-chlorothiophen-2-yl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccc(Cl)s2)Oc2ccccc21
InChIInChI=1S/C13H7ClO2S/c14-12-6-5-8(17-12)7-11-13(15)9-3-1-2-4-10(9)16-11/h1-7H/b11-7-
InChIKeyJBLJDWPIZBKHRC-XFFZJAGNSA-N
MW262.72 g/mol
LogP4.02
Rot. Bonds1

About (2Z)-2-[(5-chlorothiophen-2-yl)methylidene]-1-benzofuran-3-one

(2Z)-2-[(5-chlorothiophen-2-yl)methylidene]-1-benzofuran-3-one (PubChem CID 142733229) has the molecular formula C13H7ClO2S and a molecular weight of 262.72 g/mol. Its IUPAC name is (2Z)-2-[(5-chlorothiophen-2-yl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(5-chlorothiophen-2-yl)methylidene]-1-benzofuran-3-one
PubChem CID142733229
Molecular FormulaC13H7ClO2S
Molecular Weight262.72 g/mol
Exact Mass261.99
IUPAC Name(2Z)-2-[(5-chlorothiophen-2-yl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccc(Cl)s2)Oc2ccccc21
InChIInChI=1S/C13H7ClO2S/c14-12-6-5-8(17-12)7-11-13(15)9-3-1-2-4-10(9)16-11/h1-7H/b11-7-
InChIKeyJBLJDWPIZBKHRC-XFFZJAGNSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 24762442
(2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 127256784
CID 53380131
CID 53380131
(2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one
CID 177443194
(2Z)-2-[(3-bromothiophen-2-yl)methylidene]-1-benzofuran-3-one
CID 138675403
2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 619835
2-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]benzonitrile
CID 138675407
(2Z)-2-[(3-bromo-2-pyridinyl)methylidene]-1-benzofuran-3-one
CID 155262586
(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-1-benzofuran-3-one
CID 71453621
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one
CID 14547034
(2Z)-2-(pyren-1-ylmethylidene)-1-benzofuran-3-one
CID 102198962
(3Z)-3-[(5-methylthiophen-2-yl)methylidene]-1-benzofuran-2-one
CID 56827924

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5-chlorothiophen-2-yl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(5-chlorothiophen-2-yl)methylidene]-1-benzofuran-3-one (CID 142733229) is (2Z)-2-[(5-chlorothiophen-2-yl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(5-chlorothiophen-2-yl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(5-chlorothiophen-2-yl)methylidene]-1-benzofuran-3-one is O=C1/C(=C/c2ccc(Cl)s2)Oc2ccccc21.
What is the InChIKey of (2Z)-2-[(5-chlorothiophen-2-yl)methylidene]-1-benzofuran-3-one?
The InChIKey is JBLJDWPIZBKHRC-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H7ClO2S/c14-12-6-5-8(17-12)7-11-13(15)9-3-1-2-4-10(9)16-11/h1-7H/b11-7-.
What are the key properties of (2Z)-2-[(5-chlorothiophen-2-yl)methylidene]-1-benzofuran-3-one?
(2Z)-2-[(5-chlorothiophen-2-yl)methylidene]-1-benzofuran-3-one has a molecular weight of 262.72 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5-chlorothiophen-2-yl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 142733229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).