2-(2,6-dichlorophenyl)indene-1,3-dione

C15H8Cl2O2 — CID 3043682

IUPAC2-(2,6-dichlorophenyl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1c1c(Cl)cccc1Cl
InChIInChI=1S/C15H8Cl2O2/c16-10-6-3-7-11(17)12(10)13-14(18)8-4-1-2-5-9(8)15(13)19/h1-7,13H
InChIKeyMOIHUCBXEPXBAI-UHFFFAOYSA-N
MW291.13 g/mol
LogP4.16
Rot. Bonds1

About 2-(2,6-dichlorophenyl)indene-1,3-dione

2-(2,6-dichlorophenyl)indene-1,3-dione (PubChem CID 3043682) has the molecular formula C15H8Cl2O2 and a molecular weight of 291.13 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)indene-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)indene-1,3-dione
PubChem CID3043682
Molecular FormulaC15H8Cl2O2
Molecular Weight291.13 g/mol
Exact Mass289.99
IUPAC Name2-(2,6-dichlorophenyl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1c1c(Cl)cccc1Cl
InChIInChI=1S/C15H8Cl2O2/c16-10-6-3-7-11(17)12(10)13-14(18)8-4-1-2-5-9(8)15(13)19/h1-7,13H
InChIKeyMOIHUCBXEPXBAI-UHFFFAOYSA-N
XLogP4.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 54.16
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-(2,6-dichlorophenyl)indene-1,3-dione?
The IUPAC name of 2-(2,6-dichlorophenyl)indene-1,3-dione (CID 3043682) is 2-(2,6-dichlorophenyl)indene-1,3-dione.
What is the SMILES notation for 2-(2,6-dichlorophenyl)indene-1,3-dione?
The canonical SMILES for 2-(2,6-dichlorophenyl)indene-1,3-dione is O=C1c2ccccc2C(=O)C1c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)indene-1,3-dione?
The InChIKey is MOIHUCBXEPXBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2O2/c16-10-6-3-7-11(17)12(10)13-14(18)8-4-1-2-5-9(8)15(13)19/h1-7,13H.
What are the key properties of 2-(2,6-dichlorophenyl)indene-1,3-dione?
2-(2,6-dichlorophenyl)indene-1,3-dione has a molecular weight of 291.13 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)indene-1,3-dione is sourced from PubChem (CID 3043682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).