phenyl 4-amino-2-trimethylsilyloxybenzoate

C16H19NO3Si — CID 91734013

IUPACphenyl 4-amino-2-trimethylsilyloxybenzoate
SMILESC[Si](C)(C)Oc1cc(N)ccc1C(=O)Oc1ccccc1
InChIInChI=1S/C16H19NO3Si/c1-21(2,3)20-15-11-12(17)9-10-14(15)16(18)19-13-7-5-4-6-8-13/h4-11H,17H2,1-3H3
InChIKeyROLBUZFLHFYGOD-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.70
Rot. Bonds4

About phenyl 4-amino-2-trimethylsilyloxybenzoate

phenyl 4-amino-2-trimethylsilyloxybenzoate (PubChem CID 91734013) has the molecular formula C16H19NO3Si and a molecular weight of 301.42 g/mol. Its IUPAC name is phenyl 4-amino-2-trimethylsilyloxybenzoate.

Molecular Properties

Compound Namephenyl 4-amino-2-trimethylsilyloxybenzoate
PubChem CID91734013
Molecular FormulaC16H19NO3Si
Molecular Weight301.42 g/mol
Exact Mass301.11
IUPAC Namephenyl 4-amino-2-trimethylsilyloxybenzoate
SMILESC[Si](C)(C)Oc1cc(N)ccc1C(=O)Oc1ccccc1
InChIInChI=1S/C16H19NO3Si/c1-21(2,3)20-15-11-12(17)9-10-14(15)16(18)19-13-7-5-4-6-8-13/h4-11H,17H2,1-3H3
InChIKeyROLBUZFLHFYGOD-UHFFFAOYSA-N
XLogP3.70
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid
CID 56607371
2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid
CID 22723938
bis(4-aminophenyl) benzene-1,2-dicarboxylate
CID 20517221
bis(3-aminophenyl) benzene-1,2-dicarboxylate
CID 140718881
2-O-(3,5-dimethylphenyl) 1-O-phenyl benzene-1,2-dicarboxylate
CID 6425517
diphenyl 5-aminobenzene-1,3-dicarboxylate
CID 67545316
phenyl 2-phenoxybenzoate
CID 2471273
diphenyl 4-methoxybenzene-1,2-dicarboxylate
CID 21306237
diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
CID 154114345
phenyl 3,4-dihydroxy-2-(3-methyl-1,2-oxazol-5-yl)benzoate
CID 175477424
phenyl 3,4-diaminobenzoate
CID 22184045
trimethylsilyl 4-methyl-2-trimethylsilyloxybenzoate
CID 528664

Frequently Asked Questions

What is the IUPAC name of phenyl 4-amino-2-trimethylsilyloxybenzoate?
The IUPAC name of phenyl 4-amino-2-trimethylsilyloxybenzoate (CID 91734013) is phenyl 4-amino-2-trimethylsilyloxybenzoate.
What is the SMILES notation for phenyl 4-amino-2-trimethylsilyloxybenzoate?
The canonical SMILES for phenyl 4-amino-2-trimethylsilyloxybenzoate is C[Si](C)(C)Oc1cc(N)ccc1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 4-amino-2-trimethylsilyloxybenzoate?
The InChIKey is ROLBUZFLHFYGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3Si/c1-21(2,3)20-15-11-12(17)9-10-14(15)16(18)19-13-7-5-4-6-8-13/h4-11H,17H2,1-3H3.
What are the key properties of phenyl 4-amino-2-trimethylsilyloxybenzoate?
phenyl 4-amino-2-trimethylsilyloxybenzoate has a molecular weight of 301.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-amino-2-trimethylsilyloxybenzoate is sourced from PubChem (CID 91734013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).