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

C19H10Cl2O3 — CID 18823708

IUPAC(2Z)-5-chloro-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)Oc2ccc(Cl)cc21
InChIInChI=1S/C19H10Cl2O3/c20-11-5-7-17-14(9-11)19(22)18(24-17)10-12-6-8-16(23-12)13-3-1-2-4-15(13)21/h1-10H/b18-10-
InChIKeyGSXIURYNXANKNA-ZDLGFXPLSA-N
MW357.19 g/mol
LogP5.87
Rot. Bonds2

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

(2Z)-5-chloro-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzofuran-3-one (PubChem CID 18823708) has the molecular formula C19H10Cl2O3 and a molecular weight of 357.19 g/mol. Its IUPAC name is (2Z)-5-chloro-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-5-chloro-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzofuran-3-one
PubChem CID18823708
Molecular FormulaC19H10Cl2O3
Molecular Weight357.19 g/mol
Exact Mass356.00
IUPAC Name(2Z)-5-chloro-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)Oc2ccc(Cl)cc21
InChIInChI=1S/C19H10Cl2O3/c20-11-5-7-17-14(9-11)19(22)18(24-17)10-12-6-8-16(23-12)13-3-1-2-4-15(13)21/h1-10H/b18-10-
InChIKeyGSXIURYNXANKNA-ZDLGFXPLSA-N
XLogP5.87
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.19
LogP ≤ 55.87
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-chloro-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-5-chloro-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzofuran-3-one (CID 18823708) is (2Z)-5-chloro-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-5-chloro-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-5-chloro-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzofuran-3-one is O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)Oc2ccc(Cl)cc21.
What is the InChIKey of (2Z)-5-chloro-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzofuran-3-one?
The InChIKey is GSXIURYNXANKNA-ZDLGFXPLSA-N. The full InChI is InChI=1S/C19H10Cl2O3/c20-11-5-7-17-14(9-11)19(22)18(24-17)10-12-6-8-16(23-12)13-3-1-2-4-15(13)21/h1-10H/b18-10-.
What are the key properties of (2Z)-5-chloro-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzofuran-3-one?
(2Z)-5-chloro-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzofuran-3-one has a molecular weight of 357.19 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-chloro-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 18823708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).