2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione

C23H18O3 — CID 56689373

IUPAC2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione
SMILESCOc1ccc(CC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H18O3/c1-26-18-13-11-16(12-14-18)15-23(17-7-3-2-4-8-17)21(24)19-9-5-6-10-20(19)22(23)25/h2-14H,15H2,1H3
InChIKeyPXQBUZKDVQPEOV-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.25
Rot. Bonds4

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

2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione (PubChem CID 56689373) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione
PubChem CID56689373
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione
SMILESCOc1ccc(CC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H18O3/c1-26-18-13-11-16(12-14-18)15-23(17-7-3-2-4-8-17)21(24)19-9-5-6-10-20(19)22(23)25/h2-14H,15H2,1H3
InChIKeyPXQBUZKDVQPEOV-UHFFFAOYSA-N
XLogP4.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.25
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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Related Compounds

2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
CID 10664026
(1R,1aR,7aR)-1a-bromo-1-(4-methoxyphenyl)-1-phenyl-7aH-cyclopropa[b]naphthalene-2,7-dione
CID 10788893
6-methoxy-2-[(4-methoxyphenyl)methyl]-2-(2-phenylethynyl)-3,4-dihydronaphthalen-1-one
CID 102033872
(2S)-2-benzyl-4-(4-methoxyphenyl)-2-methylcyclopent-4-ene-1,3-dione
CID 134952495
(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one
CID 102494819
2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione
CID 640533
methyl (2R,3R)-3-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-2-phenyloxolane-3-carboxylate
CID 118720751
N-[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide
CID 2849350
2-(4-methoxyphenyl)-2-(2-nitro-1-phenylethyl)indene-1,3-dione
CID 23931674
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione (CID 56689373) is 2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione is COc1ccc(CC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione?
The InChIKey is PXQBUZKDVQPEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3/c1-26-18-13-11-16(12-14-18)15-23(17-7-3-2-4-8-17)21(24)19-9-5-6-10-20(19)22(23)25/h2-14H,15H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione?
2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione has a molecular weight of 342.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione is sourced from PubChem (CID 56689373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).