2-(4-ethoxyphenyl)indene-1,3-dione

C17H14O3 — CID 622331

IUPAC2-(4-ethoxyphenyl)indene-1,3-dione
SMILESCCOc1ccc(C2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H14O3/c1-2-20-12-9-7-11(8-10-12)15-16(18)13-5-3-4-6-14(13)17(15)19/h3-10,15H,2H2,1H3
InChIKeyOYBQKBPVEKHJTK-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.25
Rot. Bonds3

About 2-(4-ethoxyphenyl)indene-1,3-dione

2-(4-ethoxyphenyl)indene-1,3-dione (PubChem CID 622331) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)indene-1,3-dione.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)indene-1,3-dione
PubChem CID622331
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name2-(4-ethoxyphenyl)indene-1,3-dione
SMILESCCOc1ccc(C2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H14O3/c1-2-20-12-9-7-11(8-10-12)15-16(18)13-5-3-4-6-14(13)17(15)19/h3-10,15H,2H2,1H3
InChIKeyOYBQKBPVEKHJTK-UHFFFAOYSA-N
XLogP3.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.25
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)indene-1,3-dione?
The IUPAC name of 2-(4-ethoxyphenyl)indene-1,3-dione (CID 622331) is 2-(4-ethoxyphenyl)indene-1,3-dione.
What is the SMILES notation for 2-(4-ethoxyphenyl)indene-1,3-dione?
The canonical SMILES for 2-(4-ethoxyphenyl)indene-1,3-dione is CCOc1ccc(C2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)indene-1,3-dione?
The InChIKey is OYBQKBPVEKHJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-2-20-12-9-7-11(8-10-12)15-16(18)13-5-3-4-6-14(13)17(15)19/h3-10,15H,2H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)indene-1,3-dione?
2-(4-ethoxyphenyl)indene-1,3-dione has a molecular weight of 266.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)indene-1,3-dione is sourced from PubChem (CID 622331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).