2-hydroxy-2-(3-nitro-4-trimethylsilyloxyphenyl)acetic acid

C11H15NO6Si — CID 167740793

IUPAC2-hydroxy-2-(3-nitro-4-trimethylsilyloxyphenyl)acetic acid
SMILESC[Si](C)(C)Oc1ccc(C(O)C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15NO6Si/c1-19(2,3)18-9-5-4-7(10(13)11(14)15)6-8(9)12(16)17/h4-6,10,13H,1-3H3,(H,14,15)
InChIKeyGHFQTIICDRGMAH-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.93
Rot. Bonds5

About 2-hydroxy-2-(3-nitro-4-trimethylsilyloxyphenyl)acetic acid

2-hydroxy-2-(3-nitro-4-trimethylsilyloxyphenyl)acetic acid (PubChem CID 167740793) has the molecular formula C11H15NO6Si and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-hydroxy-2-(3-nitro-4-trimethylsilyloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(3-nitro-4-trimethylsilyloxyphenyl)acetic acid
PubChem CID167740793
Molecular FormulaC11H15NO6Si
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name2-hydroxy-2-(3-nitro-4-trimethylsilyloxyphenyl)acetic acid
SMILESC[Si](C)(C)Oc1ccc(C(O)C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15NO6Si/c1-19(2,3)18-9-5-4-7(10(13)11(14)15)6-8(9)12(16)17/h4-6,10,13H,1-3H3,(H,14,15)
InChIKeyGHFQTIICDRGMAH-UHFFFAOYSA-N
XLogP1.93
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[tert-butyl(dimethyl)silyl]oxy-3-nitrophenyl]-2-hydroxyacetic acid
CID 167720163
(2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid
CID 131420861
2-hydroxy-2-(3-methoxy-4-nitrophenyl)acetic acid
CID 134655858
(2S)-2-(4-fluoro-3-nitrophenyl)-2-hydroxyacetic acid
CID 131433935
2-hydroxy-2-[4-nitro-3-(trifluoromethoxy)phenyl]acetic acid
CID 134656054
[4-(chloromethyl)-2-nitrophenoxy]-trimethylsilane
CID 167726624
[acetyloxy-(4-methoxy-3-nitrophenyl)methyl] acetate
CID 824269
1,1,3-trifluoro-3-(3-nitro-4-propan-2-yloxyphenyl)propan-2-one
CID 118238787
2-(3-cyano-4-methyl-5-nitrophenyl)-2-hydroxyacetic acid
CID 170996061
2-(3-nitro-4-prop-2-enoxyphenyl)butanoic acid
CID 21444174
methyl 2-[4-(1-hydroxyethyl)-2-nitrophenoxy]acetate
CID 176611664
2-fluoro-2-(4-formyl-2-nitrophenoxy)acetic acid
CID 123757501

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(3-nitro-4-trimethylsilyloxyphenyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(3-nitro-4-trimethylsilyloxyphenyl)acetic acid (CID 167740793) is 2-hydroxy-2-(3-nitro-4-trimethylsilyloxyphenyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(3-nitro-4-trimethylsilyloxyphenyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(3-nitro-4-trimethylsilyloxyphenyl)acetic acid is C[Si](C)(C)Oc1ccc(C(O)C(=O)O)cc1[N+](=O)[O-].
What is the InChIKey of 2-hydroxy-2-(3-nitro-4-trimethylsilyloxyphenyl)acetic acid?
The InChIKey is GHFQTIICDRGMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6Si/c1-19(2,3)18-9-5-4-7(10(13)11(14)15)6-8(9)12(16)17/h4-6,10,13H,1-3H3,(H,14,15).
What are the key properties of 2-hydroxy-2-(3-nitro-4-trimethylsilyloxyphenyl)acetic acid?
2-hydroxy-2-(3-nitro-4-trimethylsilyloxyphenyl)acetic acid has a molecular weight of 285.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(3-nitro-4-trimethylsilyloxyphenyl)acetic acid is sourced from PubChem (CID 167740793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).