3'-(2,4-dichlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione

C16H8Cl2O3 — CID 3786298

IUPAC3'-(2,4-dichlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione
SMILESO=C1c2ccccc2C(=O)C12OC2c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H8Cl2O3/c17-8-5-6-11(12(18)7-8)15-16(21-15)13(19)9-3-1-2-4-10(9)14(16)20/h1-7,15H
InChIKeyYQNVTWRFEXZXPQ-UHFFFAOYSA-N
MW319.14 g/mol
LogP3.88
Rot. Bonds1

About 3'-(2,4-dichlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione

3'-(2,4-dichlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione (PubChem CID 3786298) has the molecular formula C16H8Cl2O3 and a molecular weight of 319.14 g/mol. Its IUPAC name is 3'-(2,4-dichlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione.

Molecular Properties

Compound Name3'-(2,4-dichlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione
PubChem CID3786298
Molecular FormulaC16H8Cl2O3
Molecular Weight319.14 g/mol
Exact Mass317.99
IUPAC Name3'-(2,4-dichlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione
SMILESO=C1c2ccccc2C(=O)C12OC2c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H8Cl2O3/c17-8-5-6-11(12(18)7-8)15-16(21-15)13(19)9-3-1-2-4-10(9)14(16)20/h1-7,15H
InChIKeyYQNVTWRFEXZXPQ-UHFFFAOYSA-N
XLogP3.88
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3'-(2,4-dichlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione?
The IUPAC name of 3'-(2,4-dichlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione (CID 3786298) is 3'-(2,4-dichlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione.
What is the SMILES notation for 3'-(2,4-dichlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione?
The canonical SMILES for 3'-(2,4-dichlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione is O=C1c2ccccc2C(=O)C12OC2c1ccc(Cl)cc1Cl.
What is the InChIKey of 3'-(2,4-dichlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione?
The InChIKey is YQNVTWRFEXZXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2O3/c17-8-5-6-11(12(18)7-8)15-16(21-15)13(19)9-3-1-2-4-10(9)14(16)20/h1-7,15H.
What are the key properties of 3'-(2,4-dichlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione?
3'-(2,4-dichlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione has a molecular weight of 319.14 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(2,4-dichlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione is sourced from PubChem (CID 3786298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).