chloro-(5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane

C19H21ClOSi — CID 90243386

IUPACchloro-(5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane
SMILESCOc1ccc2c(c1-c1ccccc1)C=C(C)C2[Si](C)(C)Cl
InChIInChI=1S/C19H21ClOSi/c1-13-12-16-15(19(13)22(3,4)20)10-11-17(21-2)18(16)14-8-6-5-7-9-14/h5-12,19H,1-4H3
InChIKeyOWKYXCHMWWKVET-UHFFFAOYSA-N
MW328.92 g/mol
LogP5.85
Rot. Bonds3

About chloro-(5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane

chloro-(5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane (PubChem CID 90243386) has the molecular formula C19H21ClOSi and a molecular weight of 328.92 g/mol. Its IUPAC name is chloro-(5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Namechloro-(5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane
PubChem CID90243386
Molecular FormulaC19H21ClOSi
Molecular Weight328.92 g/mol
Exact Mass328.11
IUPAC Namechloro-(5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane
SMILESCOc1ccc2c(c1-c1ccccc1)C=C(C)C2[Si](C)(C)Cl
InChIInChI=1S/C19H21ClOSi/c1-13-12-16-15(19(13)22(3,4)20)10-11-17(21-2)18(16)14-8-6-5-7-9-14/h5-12,19H,1-4H3
InChIKeyOWKYXCHMWWKVET-UHFFFAOYSA-N
XLogP5.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.92
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-(5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of chloro-(5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane (CID 90243386) is chloro-(5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for chloro-(5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for chloro-(5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane is COc1ccc2c(c1-c1ccccc1)C=C(C)C2[Si](C)(C)Cl.
What is the InChIKey of chloro-(5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane?
The InChIKey is OWKYXCHMWWKVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClOSi/c1-13-12-16-15(19(13)22(3,4)20)10-11-17(21-2)18(16)14-8-6-5-7-9-14/h5-12,19H,1-4H3.
What are the key properties of chloro-(5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane?
chloro-(5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane has a molecular weight of 328.92 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 90243386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).