(3S)-3-phenyl-4-trimethylsilyl-2,3-dihydroinden-1-one

C18H20OSi — CID 23726934

IUPAC(3S)-3-phenyl-4-trimethylsilyl-2,3-dihydroinden-1-one
SMILESC[Si](C)(C)c1cccc2c1[C@H](c1ccccc1)CC2=O
InChIInChI=1S/C18H20OSi/c1-20(2,3)17-11-7-10-14-16(19)12-15(18(14)17)13-8-5-4-6-9-13/h4-11,15H,12H2,1-3H3/t15-/m0/s1
InChIKeyILJYXKMBCGTCPT-HNNXBMFYSA-N
MW280.44 g/mol
LogP3.95
Rot. Bonds2

About (3S)-3-phenyl-4-trimethylsilyl-2,3-dihydroinden-1-one

(3S)-3-phenyl-4-trimethylsilyl-2,3-dihydroinden-1-one (PubChem CID 23726934) has the molecular formula C18H20OSi and a molecular weight of 280.44 g/mol. Its IUPAC name is (3S)-3-phenyl-4-trimethylsilyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(3S)-3-phenyl-4-trimethylsilyl-2,3-dihydroinden-1-one
PubChem CID23726934
Molecular FormulaC18H20OSi
Molecular Weight280.44 g/mol
Exact Mass280.13
IUPAC Name(3S)-3-phenyl-4-trimethylsilyl-2,3-dihydroinden-1-one
SMILESC[Si](C)(C)c1cccc2c1[C@H](c1ccccc1)CC2=O
InChIInChI=1S/C18H20OSi/c1-20(2,3)17-11-7-10-14-16(19)12-15(18(14)17)13-8-5-4-6-9-13/h4-11,15H,12H2,1-3H3/t15-/m0/s1
InChIKeyILJYXKMBCGTCPT-HNNXBMFYSA-N
XLogP3.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 66827790
tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-one
CID 12669081
5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 102288918
(1R)-1-phenyl-1,2-dihydrocyclopenta[b][1]benzothiol-3-one
CID 134970084
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
trimethyl-(2-trimethylsilylphenyl)silane
CID 519794
3-(3-chloro-2-methylphenyl)-2,3-dihydroinden-1-one
CID 70835059
(3S)-3-phenyl-2,3-dihydrochromen-4-one
CID 6928388
(3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one
CID 134952620
4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one
CID 44568001
(3R)-3-tert-butyl-2,3-dihydroinden-1-one
CID 158775656
(4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one
CID 804457

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-4-trimethylsilyl-2,3-dihydroinden-1-one?
The IUPAC name of (3S)-3-phenyl-4-trimethylsilyl-2,3-dihydroinden-1-one (CID 23726934) is (3S)-3-phenyl-4-trimethylsilyl-2,3-dihydroinden-1-one.
What is the SMILES notation for (3S)-3-phenyl-4-trimethylsilyl-2,3-dihydroinden-1-one?
The canonical SMILES for (3S)-3-phenyl-4-trimethylsilyl-2,3-dihydroinden-1-one is C[Si](C)(C)c1cccc2c1[C@H](c1ccccc1)CC2=O.
What is the InChIKey of (3S)-3-phenyl-4-trimethylsilyl-2,3-dihydroinden-1-one?
The InChIKey is ILJYXKMBCGTCPT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20OSi/c1-20(2,3)17-11-7-10-14-16(19)12-15(18(14)17)13-8-5-4-6-9-13/h4-11,15H,12H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-3-phenyl-4-trimethylsilyl-2,3-dihydroinden-1-one?
(3S)-3-phenyl-4-trimethylsilyl-2,3-dihydroinden-1-one has a molecular weight of 280.44 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-4-trimethylsilyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 23726934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).