2-(3-chlorophenyl)indene-1,3-dione

C15H9ClO2 — CID 23274867

IUPAC2-(3-chlorophenyl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1c1cccc(Cl)c1
InChIInChI=1S/C15H9ClO2/c16-10-5-3-4-9(8-10)13-14(17)11-6-1-2-7-12(11)15(13)18/h1-8,13H
InChIKeyCXVIGZJKUNHFRZ-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.50
Rot. Bonds1

About 2-(3-chlorophenyl)indene-1,3-dione

2-(3-chlorophenyl)indene-1,3-dione (PubChem CID 23274867) has the molecular formula C15H9ClO2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-(3-chlorophenyl)indene-1,3-dione.

Molecular Properties

Compound Name2-(3-chlorophenyl)indene-1,3-dione
PubChem CID23274867
Molecular FormulaC15H9ClO2
Molecular Weight256.69 g/mol
Exact Mass256.03
IUPAC Name2-(3-chlorophenyl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1c1cccc(Cl)c1
InChIInChI=1S/C15H9ClO2/c16-10-5-3-4-9(8-10)13-14(17)11-6-1-2-7-12(11)15(13)18/h1-8,13H
InChIKeyCXVIGZJKUNHFRZ-UHFFFAOYSA-N
XLogP3.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)indene-1,3-dione?
The IUPAC name of 2-(3-chlorophenyl)indene-1,3-dione (CID 23274867) is 2-(3-chlorophenyl)indene-1,3-dione.
What is the SMILES notation for 2-(3-chlorophenyl)indene-1,3-dione?
The canonical SMILES for 2-(3-chlorophenyl)indene-1,3-dione is O=C1c2ccccc2C(=O)C1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)indene-1,3-dione?
The InChIKey is CXVIGZJKUNHFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO2/c16-10-5-3-4-9(8-10)13-14(17)11-6-1-2-7-12(11)15(13)18/h1-8,13H.
What are the key properties of 2-(3-chlorophenyl)indene-1,3-dione?
2-(3-chlorophenyl)indene-1,3-dione has a molecular weight of 256.69 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)indene-1,3-dione is sourced from PubChem (CID 23274867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).