[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid

C15H27O5PSi — CID 20634491

IUPAC[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid
SMILESCOc1cc(CP(=O)(O)O)cc(C)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27O5PSi/c1-11-8-12(10-21(16,17)18)9-13(19-5)14(11)20-22(6,7)15(2,3)4/h8-9H,10H2,1-7H3,(H2,16,17,18)
InChIKeyFMKWAFYSBVVTDG-UHFFFAOYSA-N
MW346.44 g/mol
LogP4.07
Rot. Bonds5

About [4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid

[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid (PubChem CID 20634491) has the molecular formula C15H27O5PSi and a molecular weight of 346.44 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid
PubChem CID20634491
Molecular FormulaC15H27O5PSi
Molecular Weight346.44 g/mol
Exact Mass346.14
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid
SMILESCOc1cc(CP(=O)(O)O)cc(C)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27O5PSi/c1-11-8-12(10-21(16,17)18)9-13(19-5)14(11)20-22(6,7)15(2,3)4/h8-9H,10H2,1-7H3,(H2,16,17,18)
InChIKeyFMKWAFYSBVVTDG-UHFFFAOYSA-N
XLogP4.07
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid (CID 20634491) is [4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid is COc1cc(CP(=O)(O)O)cc(C)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid?
The InChIKey is FMKWAFYSBVVTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27O5PSi/c1-11-8-12(10-21(16,17)18)9-13(19-5)14(11)20-22(6,7)15(2,3)4/h8-9H,10H2,1-7H3,(H2,16,17,18).
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid?
[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid has a molecular weight of 346.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid is sourced from PubChem (CID 20634491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).