5-(4-methoxyphenyl)-7-trimethylsilyl-2,3-dihydroinden-1-one

C19H22O2Si — CID 100968422

IUPAC5-(4-methoxyphenyl)-7-trimethylsilyl-2,3-dihydroinden-1-one
SMILESCOc1ccc(-c2cc3c(c([Si](C)(C)C)c2)C(=O)CC3)cc1
InChIInChI=1S/C19H22O2Si/c1-21-16-8-5-13(6-9-16)15-11-14-7-10-17(20)19(14)18(12-15)22(2,3)4/h5-6,8-9,11-12H,7,10H2,1-4H3
InChIKeySCUCLLFKCSMUGE-UHFFFAOYSA-N
MW310.47 g/mol
LogP4.04
Rot. Bonds3

About 5-(4-methoxyphenyl)-7-trimethylsilyl-2,3-dihydroinden-1-one

5-(4-methoxyphenyl)-7-trimethylsilyl-2,3-dihydroinden-1-one (PubChem CID 100968422) has the molecular formula C19H22O2Si and a molecular weight of 310.47 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-7-trimethylsilyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-7-trimethylsilyl-2,3-dihydroinden-1-one
PubChem CID100968422
Molecular FormulaC19H22O2Si
Molecular Weight310.47 g/mol
Exact Mass310.14
IUPAC Name5-(4-methoxyphenyl)-7-trimethylsilyl-2,3-dihydroinden-1-one
SMILESCOc1ccc(-c2cc3c(c([Si](C)(C)C)c2)C(=O)CC3)cc1
InChIInChI=1S/C19H22O2Si/c1-21-16-8-5-13(6-9-16)15-11-14-7-10-17(20)19(14)18(12-15)22(2,3)4/h5-6,8-9,11-12H,7,10H2,1-4H3
InChIKeySCUCLLFKCSMUGE-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-7-trimethylsilyl-2,3-dihydroinden-1-one?
The IUPAC name of 5-(4-methoxyphenyl)-7-trimethylsilyl-2,3-dihydroinden-1-one (CID 100968422) is 5-(4-methoxyphenyl)-7-trimethylsilyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-7-trimethylsilyl-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(4-methoxyphenyl)-7-trimethylsilyl-2,3-dihydroinden-1-one is COc1ccc(-c2cc3c(c([Si](C)(C)C)c2)C(=O)CC3)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-7-trimethylsilyl-2,3-dihydroinden-1-one?
The InChIKey is SCUCLLFKCSMUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2Si/c1-21-16-8-5-13(6-9-16)15-11-14-7-10-17(20)19(14)18(12-15)22(2,3)4/h5-6,8-9,11-12H,7,10H2,1-4H3.
What are the key properties of 5-(4-methoxyphenyl)-7-trimethylsilyl-2,3-dihydroinden-1-one?
5-(4-methoxyphenyl)-7-trimethylsilyl-2,3-dihydroinden-1-one has a molecular weight of 310.47 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-7-trimethylsilyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 100968422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).