4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid

C28H34O4Si — CID 22014377

IUPAC4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid
SMILESCc1ccccc1-c1cc(COc2ccccc2CO[Si](C)(C)C(C)(C)C)ccc1C(=O)O
InChIInChI=1S/C28H34O4Si/c1-20-11-7-9-13-23(20)25-17-21(15-16-24(25)27(29)30)18-31-26-14-10-8-12-22(26)19-32-33(5,6)28(2,3)4/h7-17H,18-19H2,1-6H3,(H,29,30)
InChIKeyWOTFWLKXLFMNBS-UHFFFAOYSA-N
MW462.66 g/mol
LogP7.46
Rot. Bonds8

About 4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid

4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid (PubChem CID 22014377) has the molecular formula C28H34O4Si and a molecular weight of 462.66 g/mol. Its IUPAC name is 4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid.

Molecular Properties

Compound Name4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid
PubChem CID22014377
Molecular FormulaC28H34O4Si
Molecular Weight462.66 g/mol
Exact Mass462.22
IUPAC Name4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid
SMILESCc1ccccc1-c1cc(COc2ccccc2CO[Si](C)(C)C(C)(C)C)ccc1C(=O)O
InChIInChI=1S/C28H34O4Si/c1-20-11-7-9-13-23(20)25-17-21(15-16-24(25)27(29)30)18-31-26-14-10-8-12-22(26)19-32-33(5,6)28(2,3)4/h7-17H,18-19H2,1-6H3,(H,29,30)
InChIKeyWOTFWLKXLFMNBS-UHFFFAOYSA-N
XLogP7.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.66
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid 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

4-(hydroxymethyl)-2-(2-methylphenyl)benzoic acid
CID 10633904
2-(2-methylphenyl)-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoic acid
CID 54076744
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane
CID 57099550
4-tert-butyl-2-(2-methylphenyl)benzoic acid
CID 20627859
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422
2-bromo-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylmethoxyphenyl]ethanol
CID 76807098
tert-butyl-[(4-ethyl-3-methylphenyl)methoxy]-dimethylsilane
CID 167684834
5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid
CID 25109956
3-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987653
4-[[2-[2-[(4-bromophenyl)methoxy]phenyl]ethylamino]methyl]-2-methylbenzoic acid
CID 68781095
4-[[4-cyano-2-(2-ethylphenyl)phenoxy]methyl]-2-methylbenzoic acid
CID 67576820
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid?
The IUPAC name of 4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid (CID 22014377) is 4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid.
What is the SMILES notation for 4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid?
The canonical SMILES for 4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid is Cc1ccccc1-c1cc(COc2ccccc2CO[Si](C)(C)C(C)(C)C)ccc1C(=O)O.
What is the InChIKey of 4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid?
The InChIKey is WOTFWLKXLFMNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O4Si/c1-20-11-7-9-13-23(20)25-17-21(15-16-24(25)27(29)30)18-31-26-14-10-8-12-22(26)19-32-33(5,6)28(2,3)4/h7-17H,18-19H2,1-6H3,(H,29,30).
What are the key properties of 4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid?
4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid has a molecular weight of 462.66 g/mol, XLogP of 7.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid is sourced from PubChem (CID 22014377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).