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

C16H12O3 — CID 2197

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IUPAC2-(4-methoxyphenyl)indene-1,3-dione
SMILESCOc1ccc(C2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3
InChIKeyXRCFXMGQEVUZFC-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.86
Rot. Bonds2

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

2-(4-methoxyphenyl)indene-1,3-dione (PubChem CID 2197) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)indene-1,3-dione.

Molecular Properties

Compound Name2-(4-methoxyphenyl)indene-1,3-dione
PubChem CID2197
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name2-(4-methoxyphenyl)indene-1,3-dione
SMILESCOc1ccc(C2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3
InChIKeyXRCFXMGQEVUZFC-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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Related Compounds

Avobenzone
CID 51040
4'-Methoxychalcone
CID 641818
1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione
CID 31494
4,4'-Dimethoxybenzil
CID 71043
4-Methoxychalcone
CID 641819
6-Methoxy-alpha-tetralone
CID 14112
4-Methoxybenzophenone
CID 69146
4,4'-Dimethoxychalcone
CID 5377817
1,3-Bis(4-methoxyphenyl)-1,3-propanedione
CID 87596
2-(4-Methoxybenzylidene)-1-tetralone
CID 695537
4'-Methoxy-4-methylchalcone
CID 5709372
2-(2-Methoxybenzylidene)-1-indanone
CID 5388525

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)indene-1,3-dione?
The IUPAC name of 2-(4-methoxyphenyl)indene-1,3-dione (CID 2197) is 2-(4-methoxyphenyl)indene-1,3-dione.
What is the SMILES notation for 2-(4-methoxyphenyl)indene-1,3-dione?
The canonical SMILES for 2-(4-methoxyphenyl)indene-1,3-dione is COc1ccc(C2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)indene-1,3-dione?
The InChIKey is XRCFXMGQEVUZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3.
What are the key properties of 2-(4-methoxyphenyl)indene-1,3-dione?
2-(4-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-(4-methoxyphenyl)indene-1,3-dione is sourced from PubChem (CID 2197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).