2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1H-inden-5-ol

C16H23FO2Si — CID 175351456

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1H-inden-5-ol
SMILESCC(C)(C)[Si](C)(C)OCC1=Cc2c(ccc(O)c2F)C1
InChIInChI=1S/C16H23FO2Si/c1-16(2,3)20(4,5)19-10-11-8-12-6-7-14(18)15(17)13(12)9-11/h6-7,9,18H,8,10H2,1-5H3
InChIKeyNWQZBNGRCQHDJJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.49
Rot. Bonds3

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1H-inden-5-ol

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1H-inden-5-ol (PubChem CID 175351456) has the molecular formula C16H23FO2Si and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1H-inden-5-ol.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1H-inden-5-ol
PubChem CID175351456
Molecular FormulaC16H23FO2Si
Molecular Weight294.44 g/mol
Exact Mass294.15
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1H-inden-5-ol
SMILESCC(C)(C)[Si](C)(C)OCC1=Cc2c(ccc(O)c2F)C1
InChIInChI=1S/C16H23FO2Si/c1-16(2,3)20(4,5)19-10-11-8-12-6-7-14(18)15(17)13(12)9-11/h6-7,9,18H,8,10H2,1-5H3
InChIKeyNWQZBNGRCQHDJJ-UHFFFAOYSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
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 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1H-inden-5-ol?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1H-inden-5-ol (CID 175351456) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1H-inden-5-ol.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1H-inden-5-ol?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1H-inden-5-ol is CC(C)(C)[Si](C)(C)OCC1=Cc2c(ccc(O)c2F)C1.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1H-inden-5-ol?
The InChIKey is NWQZBNGRCQHDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2Si/c1-16(2,3)20(4,5)19-10-11-8-12-6-7-14(18)15(17)13(12)9-11/h6-7,9,18H,8,10H2,1-5H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1H-inden-5-ol?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1H-inden-5-ol has a molecular weight of 294.44 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-1H-inden-5-ol is sourced from PubChem (CID 175351456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).