methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate

C20H26O4Si — CID 10760874

IUPACmethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate
SMILESCOC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)c(Oc2ccccc2)c1
InChIInChI=1S/C20H26O4Si/c1-20(2,3)25(5,6)24-17-13-12-15(19(21)22-4)14-18(17)23-16-10-8-7-9-11-16/h7-14H,1-6H3
InChIKeyGDYAVMLFKMDQAO-UHFFFAOYSA-N
MW358.51 g/mol
LogP5.65
Rot. Bonds5

About methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate

methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate (PubChem CID 10760874) has the molecular formula C20H26O4Si and a molecular weight of 358.51 g/mol. Its IUPAC name is methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate
PubChem CID10760874
Molecular FormulaC20H26O4Si
Molecular Weight358.51 g/mol
Exact Mass358.16
IUPAC Namemethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate
SMILESCOC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)c(Oc2ccccc2)c1
InChIInChI=1S/C20H26O4Si/c1-20(2,3)25(5,6)24-17-13-12-15(19(21)22-4)14-18(17)23-16-10-8-7-9-11-16/h7-14H,1-6H3
InChIKeyGDYAVMLFKMDQAO-UHFFFAOYSA-N
XLogP5.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-phenoxybenzene-1,4-dicarboxylate
CID 23436153
methyl 4-methyl-3-phenoxybenzoate
CID 15210812
methyl 3,4-bis(trimethylsilyloxy)benzoate
CID 606219
3,4-diphenoxybenzoic acid
CID 70590459
3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride
CID 10979521
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate
CID 167730897
1-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-bromoethanone
CID 142730774
benzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 67706731
methyl 3-[2-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]-4-bromobenzoate
CID 140840729
3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-cyano-3-hydroxy-N-phenylprop-2-enamide
CID 67879756
methyl 3-bromo-4-(2-phenoxyethoxy)benzoate
CID 54793322
2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone
CID 167726239

Frequently Asked Questions

What is the IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate?
The IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate (CID 10760874) is methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate.
What is the SMILES notation for methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate?
The canonical SMILES for methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate is COC(=O)c1ccc(O[Si](C)(C)C(C)(C)C)c(Oc2ccccc2)c1.
What is the InChIKey of methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate?
The InChIKey is GDYAVMLFKMDQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4Si/c1-20(2,3)25(5,6)24-17-13-12-15(19(21)22-4)14-18(17)23-16-10-8-7-9-11-16/h7-14H,1-6H3.
What are the key properties of methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate?
methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate has a molecular weight of 358.51 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate is sourced from PubChem (CID 10760874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).