2-benzoyl-5-methoxyindene-1,3-dione

C17H12O4 — CID 122369760

IUPAC2-benzoyl-5-methoxyindene-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(C(=O)c1ccccc1)C2=O
InChIInChI=1S/C17H12O4/c1-21-11-7-8-12-13(9-11)17(20)14(16(12)19)15(18)10-5-3-2-4-6-10/h2-9,14H,1H3
InChIKeyUWURAIFEJKPKGN-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.57
Rot. Bonds3

About 2-benzoyl-5-methoxyindene-1,3-dione

2-benzoyl-5-methoxyindene-1,3-dione (PubChem CID 122369760) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-benzoyl-5-methoxyindene-1,3-dione.

Molecular Properties

Compound Name2-benzoyl-5-methoxyindene-1,3-dione
PubChem CID122369760
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name2-benzoyl-5-methoxyindene-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(C(=O)c1ccccc1)C2=O
InChIInChI=1S/C17H12O4/c1-21-11-7-8-12-13(9-11)17(20)14(16(12)19)15(18)10-5-3-2-4-6-10/h2-9,14H,1H3
InChIKeyUWURAIFEJKPKGN-UHFFFAOYSA-N
XLogP2.57
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-hydroxy-5-methoxyindene-1,3-dione
CID 139638113
2-benzoyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 79235413
(5-methoxy-1,3-dioxoinden-2-yl) acetate
CID 139638210
N-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide
CID 98061288
2-(4-fluorobenzoyl)indene-1,3-dione
CID 122369754
methyl 5-methoxy-1-oxo-3-phenylindene-2-carboxylate
CID 102078584
7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one
CID 59419878
[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 765186
(3S)-6-methoxy-3-phenacyl-2,3-dihydroisoindol-1-one
CID 164681160
2-[[5-[2-(carboxymethylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carbonyl]amino]acetic acid
CID 163236797
[(2S,3R)-3-(3-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 102325705
3-(4-methoxyphenyl)-1-phenyl(213C)prop-2-yn-1-one
CID 101128988

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-5-methoxyindene-1,3-dione?
The IUPAC name of 2-benzoyl-5-methoxyindene-1,3-dione (CID 122369760) is 2-benzoyl-5-methoxyindene-1,3-dione.
What is the SMILES notation for 2-benzoyl-5-methoxyindene-1,3-dione?
The canonical SMILES for 2-benzoyl-5-methoxyindene-1,3-dione is COc1ccc2c(c1)C(=O)C(C(=O)c1ccccc1)C2=O.
What is the InChIKey of 2-benzoyl-5-methoxyindene-1,3-dione?
The InChIKey is UWURAIFEJKPKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c1-21-11-7-8-12-13(9-11)17(20)14(16(12)19)15(18)10-5-3-2-4-6-10/h2-9,14H,1H3.
What are the key properties of 2-benzoyl-5-methoxyindene-1,3-dione?
2-benzoyl-5-methoxyindene-1,3-dione has a molecular weight of 280.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-5-methoxyindene-1,3-dione is sourced from PubChem (CID 122369760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).