[4-fluoro-2-(trimethylsilylmethyl)phenyl]methyl phenyl carbonate

C18H21FO3Si — CID 11954794

IUPAC[4-fluoro-2-(trimethylsilylmethyl)phenyl]methyl phenyl carbonate
SMILESC[Si](C)(C)Cc1cc(F)ccc1COC(=O)Oc1ccccc1
InChIInChI=1S/C18H21FO3Si/c1-23(2,3)13-15-11-16(19)10-9-14(15)12-21-18(20)22-17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3
InChIKeyZDVATOPMZYVENF-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.96
Rot. Bonds5

About [4-fluoro-2-(trimethylsilylmethyl)phenyl]methyl phenyl carbonate

[4-fluoro-2-(trimethylsilylmethyl)phenyl]methyl phenyl carbonate (PubChem CID 11954794) has the molecular formula C18H21FO3Si and a molecular weight of 332.45 g/mol. Its IUPAC name is [4-fluoro-2-(trimethylsilylmethyl)phenyl]methyl phenyl carbonate.

Molecular Properties

Compound Name[4-fluoro-2-(trimethylsilylmethyl)phenyl]methyl phenyl carbonate
PubChem CID11954794
Molecular FormulaC18H21FO3Si
Molecular Weight332.45 g/mol
Exact Mass332.12
IUPAC Name[4-fluoro-2-(trimethylsilylmethyl)phenyl]methyl phenyl carbonate
SMILESC[Si](C)(C)Cc1cc(F)ccc1COC(=O)Oc1ccccc1
InChIInChI=1S/C18H21FO3Si/c1-23(2,3)13-15-11-16(19)10-9-14(15)12-21-18(20)22-17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3
InChIKeyZDVATOPMZYVENF-UHFFFAOYSA-N
XLogP4.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(trimethylsilylmethyl)phenyl]methyl phenyl carbonate?
The IUPAC name of [4-fluoro-2-(trimethylsilylmethyl)phenyl]methyl phenyl carbonate (CID 11954794) is [4-fluoro-2-(trimethylsilylmethyl)phenyl]methyl phenyl carbonate.
What is the SMILES notation for [4-fluoro-2-(trimethylsilylmethyl)phenyl]methyl phenyl carbonate?
The canonical SMILES for [4-fluoro-2-(trimethylsilylmethyl)phenyl]methyl phenyl carbonate is C[Si](C)(C)Cc1cc(F)ccc1COC(=O)Oc1ccccc1.
What is the InChIKey of [4-fluoro-2-(trimethylsilylmethyl)phenyl]methyl phenyl carbonate?
The InChIKey is ZDVATOPMZYVENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO3Si/c1-23(2,3)13-15-11-16(19)10-9-14(15)12-21-18(20)22-17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3.
What are the key properties of [4-fluoro-2-(trimethylsilylmethyl)phenyl]methyl phenyl carbonate?
[4-fluoro-2-(trimethylsilylmethyl)phenyl]methyl phenyl carbonate has a molecular weight of 332.45 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(trimethylsilylmethyl)phenyl]methyl phenyl carbonate is sourced from PubChem (CID 11954794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).