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

C16H12O3 — CID 2817810

IUPAC2-(3-methoxyphenyl)indene-1,3-dione
SMILESCOc1cccc(C2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C16H12O3/c1-19-11-6-4-5-10(9-11)14-15(17)12-7-2-3-8-13(12)16(14)18/h2-9,14H,1H3
InChIKeyXXPPGMWCUVQEEI-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.86
Rot. Bonds2

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

2-(3-methoxyphenyl)indene-1,3-dione (PubChem CID 2817810) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)indene-1,3-dione.

Molecular Properties

Compound Name2-(3-methoxyphenyl)indene-1,3-dione
PubChem CID2817810
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name2-(3-methoxyphenyl)indene-1,3-dione
SMILESCOc1cccc(C2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C16H12O3/c1-19-11-6-4-5-10(9-11)14-15(17)12-7-2-3-8-13(12)16(14)18/h2-9,14H,1H3
InChIKeyXXPPGMWCUVQEEI-UHFFFAOYSA-N
XLogP2.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.86
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-(3-methoxyphenyl)indene-1,3-dione?
The IUPAC name of 2-(3-methoxyphenyl)indene-1,3-dione (CID 2817810) is 2-(3-methoxyphenyl)indene-1,3-dione.
What is the SMILES notation for 2-(3-methoxyphenyl)indene-1,3-dione?
The canonical SMILES for 2-(3-methoxyphenyl)indene-1,3-dione is COc1cccc(C2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)indene-1,3-dione?
The InChIKey is XXPPGMWCUVQEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-19-11-6-4-5-10(9-11)14-15(17)12-7-2-3-8-13(12)16(14)18/h2-9,14H,1H3.
What are the key properties of 2-(3-methoxyphenyl)indene-1,3-dione?
2-(3-methoxyphenyl)indene-1,3-dione has a molecular weight of 252.27 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)indene-1,3-dione is sourced from PubChem (CID 2817810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).