4-[tert-butyl(dimethyl)silyl]oxy-2-(3-chloro-4-methoxyphenyl)butanoic acid

C17H27ClO4Si — CID 69403957

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-(3-chloro-4-methoxyphenyl)butanoic acid
SMILESCOc1ccc(C(CCO[Si](C)(C)C(C)(C)C)C(=O)O)cc1Cl
InChIInChI=1S/C17H27ClO4Si/c1-17(2,3)23(5,6)22-10-9-13(16(19)20)12-7-8-15(21-4)14(18)11-12/h7-8,11,13H,9-10H2,1-6H3,(H,19,20)
InChIKeyWUQCLPVSZFOMCE-UHFFFAOYSA-N
MW358.94 g/mol
LogP4.93
Rot. Bonds7

About 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-chloro-4-methoxyphenyl)butanoic acid

4-[tert-butyl(dimethyl)silyl]oxy-2-(3-chloro-4-methoxyphenyl)butanoic acid (PubChem CID 69403957) has the molecular formula C17H27ClO4Si and a molecular weight of 358.94 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-chloro-4-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-(3-chloro-4-methoxyphenyl)butanoic acid
PubChem CID69403957
Molecular FormulaC17H27ClO4Si
Molecular Weight358.94 g/mol
Exact Mass358.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-(3-chloro-4-methoxyphenyl)butanoic acid
SMILESCOc1ccc(C(CCO[Si](C)(C)C(C)(C)C)C(=O)O)cc1Cl
InChIInChI=1S/C17H27ClO4Si/c1-17(2,3)23(5,6)22-10-9-13(16(19)20)12-7-8-15(21-4)14(18)11-12/h7-8,11,13H,9-10H2,1-6H3,(H,19,20)
InChIKeyWUQCLPVSZFOMCE-UHFFFAOYSA-N
XLogP4.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dimethoxyphenyl)heptanoic acid
CID 19042101
2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid
CID 82139353
N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butyl]-3,4,5-trimethoxy-2-methylbenzamide
CID 57198724
2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyphenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 175994854
5-[tert-butyl(diphenyl)silyl]oxy-2-(3-methoxy-4-methylphenyl)pentanoic acid
CID 153321677
2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid
CID 116769331
4-amino-3-(3-chloro-4-methoxyphenyl)-4-methylpentanoic acid
CID 66090246
4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol
CID 10550387
3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid
CID 65026320
3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 6484258
4-amino-3-(3-chloro-4-methoxyphenyl)pentanoic acid
CID 66098134
3-(3-chloro-4-methoxyphenyl)-4,4,4-trifluorobutanoic acid
CID 65021359

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-chloro-4-methoxyphenyl)butanoic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-chloro-4-methoxyphenyl)butanoic acid (CID 69403957) is 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-chloro-4-methoxyphenyl)butanoic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-chloro-4-methoxyphenyl)butanoic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-chloro-4-methoxyphenyl)butanoic acid is COc1ccc(C(CCO[Si](C)(C)C(C)(C)C)C(=O)O)cc1Cl.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-chloro-4-methoxyphenyl)butanoic acid?
The InChIKey is WUQCLPVSZFOMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClO4Si/c1-17(2,3)23(5,6)22-10-9-13(16(19)20)12-7-8-15(21-4)14(18)11-12/h7-8,11,13H,9-10H2,1-6H3,(H,19,20).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-chloro-4-methoxyphenyl)butanoic acid?
4-[tert-butyl(dimethyl)silyl]oxy-2-(3-chloro-4-methoxyphenyl)butanoic acid has a molecular weight of 358.94 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-chloro-4-methoxyphenyl)butanoic acid is sourced from PubChem (CID 69403957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).