(3R)-3-(4-methoxyphenyl)-3-triethylsilyl-2H-inden-1-one

C22H28O2Si — CID 102086151

IUPAC(3R)-3-(4-methoxyphenyl)-3-triethylsilyl-2H-inden-1-one
SMILESCC[Si](CC)(CC)[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccccc21
InChIInChI=1S/C22H28O2Si/c1-5-25(6-2,7-3)22(17-12-14-18(24-4)15-13-17)16-21(23)19-10-8-9-11-20(19)22/h8-15H,5-7,16H2,1-4H3/t22-/m1/s1
InChIKeyJYDTYXXZVWLREB-JOCHJYFZSA-N
MW352.55 g/mol
LogP5.62
Rot. Bonds6

About (3R)-3-(4-methoxyphenyl)-3-triethylsilyl-2H-inden-1-one

(3R)-3-(4-methoxyphenyl)-3-triethylsilyl-2H-inden-1-one (PubChem CID 102086151) has the molecular formula C22H28O2Si and a molecular weight of 352.55 g/mol. Its IUPAC name is (3R)-3-(4-methoxyphenyl)-3-triethylsilyl-2H-inden-1-one.

Molecular Properties

Compound Name(3R)-3-(4-methoxyphenyl)-3-triethylsilyl-2H-inden-1-one
PubChem CID102086151
Molecular FormulaC22H28O2Si
Molecular Weight352.55 g/mol
Exact Mass352.19
IUPAC Name(3R)-3-(4-methoxyphenyl)-3-triethylsilyl-2H-inden-1-one
SMILESCC[Si](CC)(CC)[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccccc21
InChIInChI=1S/C22H28O2Si/c1-5-25(6-2,7-3)22(17-12-14-18(24-4)15-13-17)16-21(23)19-10-8-9-11-20(19)22/h8-15H,5-7,16H2,1-4H3/t22-/m1/s1
InChIKeyJYDTYXXZVWLREB-JOCHJYFZSA-N
XLogP5.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.55
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3R)-3-(4-methoxyphenyl)-3-triethylsilyl-2H-inden-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one
CID 13408691
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
3-(4-methoxyphenyl)-3-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]-2H-inden-1-one
CID 161104122
2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
CID 10664026
(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one
CID 102494819
3-(4-ethylphenyl)-3-methyl-2H-inden-1-one
CID 132519091
(3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one
CID 132502408
3,3-diethyl-6-methoxy-2H-inden-1-one
CID 19036614
(9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
CID 7332720
2,2-bis(4-methoxyphenyl)-3,1-benzoxaselenin-4-one
CID 10251803
10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
CID 21398454

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methoxyphenyl)-3-triethylsilyl-2H-inden-1-one?
The IUPAC name of (3R)-3-(4-methoxyphenyl)-3-triethylsilyl-2H-inden-1-one (CID 102086151) is (3R)-3-(4-methoxyphenyl)-3-triethylsilyl-2H-inden-1-one.
What is the SMILES notation for (3R)-3-(4-methoxyphenyl)-3-triethylsilyl-2H-inden-1-one?
The canonical SMILES for (3R)-3-(4-methoxyphenyl)-3-triethylsilyl-2H-inden-1-one is CC[Si](CC)(CC)[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccccc21.
What is the InChIKey of (3R)-3-(4-methoxyphenyl)-3-triethylsilyl-2H-inden-1-one?
The InChIKey is JYDTYXXZVWLREB-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H28O2Si/c1-5-25(6-2,7-3)22(17-12-14-18(24-4)15-13-17)16-21(23)19-10-8-9-11-20(19)22/h8-15H,5-7,16H2,1-4H3/t22-/m1/s1.
What are the key properties of (3R)-3-(4-methoxyphenyl)-3-triethylsilyl-2H-inden-1-one?
(3R)-3-(4-methoxyphenyl)-3-triethylsilyl-2H-inden-1-one has a molecular weight of 352.55 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methoxyphenyl)-3-triethylsilyl-2H-inden-1-one is sourced from PubChem (CID 102086151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).