benzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate

C21H28O4Si — CID 19372203

IUPACbenzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate
SMILESCC(C)(C)[Si](C)(C)OCc1cc(C(=O)OCc2ccccc2)ccc1O
InChIInChI=1S/C21H28O4Si/c1-21(2,3)26(4,5)25-15-18-13-17(11-12-19(18)22)20(23)24-14-16-9-7-6-8-10-16/h6-13,22H,14-15H2,1-5H3
InChIKeyYZRORNJRCLPEFP-UHFFFAOYSA-N
MW372.54 g/mol
LogP5.27
Rot. Bonds6

About benzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate

benzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate (PubChem CID 19372203) has the molecular formula C21H28O4Si and a molecular weight of 372.54 g/mol. Its IUPAC name is benzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate.

Molecular Properties

Compound Namebenzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate
PubChem CID19372203
Molecular FormulaC21H28O4Si
Molecular Weight372.54 g/mol
Exact Mass372.18
IUPAC Namebenzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate
SMILESCC(C)(C)[Si](C)(C)OCc1cc(C(=O)OCc2ccccc2)ccc1O
InChIInChI=1S/C21H28O4Si/c1-21(2,3)26(4,5)25-15-18-13-17(11-12-19(18)22)20(23)24-14-16-9-7-6-8-10-16/h6-13,22H,14-15H2,1-5H3
InChIKeyYZRORNJRCLPEFP-UHFFFAOYSA-N
XLogP5.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.54
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 24807327
benzyl 3-chloro-4-hydroxybenzoate
CID 54290465
[3-[tert-butyl(dimethyl)silyl]oxy-2-methylphenyl]methyl 4-hydroxy-3-(hydroxymethyl)benzoate
CID 159123210
2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid
CID 140983421
benzyl 3-tert-butylbenzoate
CID 59132221
benzyl 3-tert-butyl-5-hydroxybenzoate
CID 178098727
3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 14940556
benzyl 3,4,5-trihydroxybenzoate
CID 16656514
benzyl 3-hydroxybenzoate
CID 11736317
4-(2-amino-1-hydroxyethyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 66988165
benzyl benzoate
CID 2345
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 12018888

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate?
The IUPAC name of benzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate (CID 19372203) is benzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate.
What is the SMILES notation for benzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate?
The canonical SMILES for benzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate is CC(C)(C)[Si](C)(C)OCc1cc(C(=O)OCc2ccccc2)ccc1O.
What is the InChIKey of benzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate?
The InChIKey is YZRORNJRCLPEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O4Si/c1-21(2,3)26(4,5)25-15-18-13-17(11-12-19(18)22)20(23)24-14-16-9-7-6-8-10-16/h6-13,22H,14-15H2,1-5H3.
What are the key properties of benzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate?
benzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate has a molecular weight of 372.54 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate is sourced from PubChem (CID 19372203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).