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

C22H16O3 — CID 10664026

IUPAC2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
SMILESCOc1ccc(C2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H16O3/c1-25-17-13-11-16(12-14-17)22(15-7-3-2-4-8-15)20(23)18-9-5-6-10-19(18)21(22)24/h2-14H,1H3
InChIKeyARTUEUKDECNBQG-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.06
Rot. Bonds3

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

2-(4-methoxyphenyl)-2-phenylindene-1,3-dione (PubChem CID 10664026) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-phenylindene-1,3-dione.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
PubChem CID10664026
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
SMILESCOc1ccc(C2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H16O3/c1-25-17-13-11-16(12-14-17)22(15-7-3-2-4-8-15)20(23)18-9-5-6-10-19(18)21(22)24/h2-14H,1H3
InChIKeyARTUEUKDECNBQG-UHFFFAOYSA-N
XLogP4.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.06
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

2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione
CID 56689373
2-(4-methoxyphenyl)selanyl-3,3-diphenylquinolin-4-one
CID 11975361
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
(1R,1aR,7aR)-1a-bromo-1-(4-methoxyphenyl)-1-phenyl-7aH-cyclopropa[b]naphthalene-2,7-dione
CID 10788893
(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one
CID 102494819
N-[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide
CID 2849350
2,2-bis(4-methoxyphenyl)-1H-indol-3-one
CID 138738671
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
2-(4-fluoroanilino)-2-(4-methoxyphenyl)indene-1,3-dione
CID 22432792
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] benzoate
CID 21349038
2-[(Z)-[2-(4-methoxyphenyl)-2-phenylcyclobutylidene]amino]isoindole-1,3-dione
CID 102146832
2-(4-methoxyphenyl)-2-(2-nitro-1-phenylethyl)indene-1,3-dione
CID 23931674

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-phenylindene-1,3-dione?
The IUPAC name of 2-(4-methoxyphenyl)-2-phenylindene-1,3-dione (CID 10664026) is 2-(4-methoxyphenyl)-2-phenylindene-1,3-dione.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-phenylindene-1,3-dione?
The canonical SMILES for 2-(4-methoxyphenyl)-2-phenylindene-1,3-dione is COc1ccc(C2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-phenylindene-1,3-dione?
The InChIKey is ARTUEUKDECNBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O3/c1-25-17-13-11-16(12-14-17)22(15-7-3-2-4-8-15)20(23)18-9-5-6-10-19(18)21(22)24/h2-14H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-2-phenylindene-1,3-dione?
2-(4-methoxyphenyl)-2-phenylindene-1,3-dione has a molecular weight of 328.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-phenylindene-1,3-dione is sourced from PubChem (CID 10664026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).