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

C16H9ClO3 — CID 3142215

IUPAC3'-(4-chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione
SMILESO=C1c2ccccc2C(=O)C12OC2c1ccc(Cl)cc1
InChIInChI=1S/C16H9ClO3/c17-10-7-5-9(6-8-10)15-16(20-15)13(18)11-3-1-2-4-12(11)14(16)19/h1-8,15H
InChIKeyTXOAAFVHJAZXAJ-UHFFFAOYSA-N
MW284.70 g/mol
LogP3.23
Rot. Bonds1

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

3'-(4-chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione (PubChem CID 3142215) has the molecular formula C16H9ClO3 and a molecular weight of 284.70 g/mol. Its IUPAC name is 3'-(4-chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione.

Molecular Properties

Compound Name3'-(4-chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione
PubChem CID3142215
Molecular FormulaC16H9ClO3
Molecular Weight284.70 g/mol
Exact Mass284.02
IUPAC Name3'-(4-chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione
SMILESO=C1c2ccccc2C(=O)C12OC2c1ccc(Cl)cc1
InChIInChI=1S/C16H9ClO3/c17-10-7-5-9(6-8-10)15-16(20-15)13(18)11-3-1-2-4-12(11)14(16)19/h1-8,15H
InChIKeyTXOAAFVHJAZXAJ-UHFFFAOYSA-N
XLogP3.23
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 53.23
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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Related Compounds

CID 11046097
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CID 3742880
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CID 11461961
CID 11461961
CID 3786298
CID 3786298
CID 248779
CID 248779
CID 73053519
CID 73053519
CID 134946865
CID 134946865
CID 287833
CID 287833
CID 1476950
CID 1476950
CID 231109
CID 231109
CID 1476949
CID 1476949
CID 15313513
CID 15313513

Frequently Asked Questions

What is the IUPAC name of 3'-(4-chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione?
The IUPAC name of 3'-(4-chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione (CID 3142215) is 3'-(4-chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione.
What is the SMILES notation for 3'-(4-chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione?
The canonical SMILES for 3'-(4-chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione is O=C1c2ccccc2C(=O)C12OC2c1ccc(Cl)cc1.
What is the InChIKey of 3'-(4-chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione?
The InChIKey is TXOAAFVHJAZXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClO3/c17-10-7-5-9(6-8-10)15-16(20-15)13(18)11-3-1-2-4-12(11)14(16)19/h1-8,15H.
What are the key properties of 3'-(4-chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione?
3'-(4-chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione has a molecular weight of 284.70 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(4-chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione is sourced from PubChem (CID 3142215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).