(4-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol

C13H21NO5Si — CID 68894749

IUPAC(4-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol
SMILESC[Si](C)(C)CCOCOC(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H21NO5Si/c1-20(2,3)9-8-18-10-19-13(15)11-4-6-12(7-5-11)14(16)17/h4-7,13,15H,8-10H2,1-3H3
InChIKeyJGXLUCRVPKGFCI-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.91
Rot. Bonds8

About (4-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol

(4-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol (PubChem CID 68894749) has the molecular formula C13H21NO5Si and a molecular weight of 299.40 g/mol. Its IUPAC name is (4-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol.

Molecular Properties

Compound Name(4-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol
PubChem CID68894749
Molecular FormulaC13H21NO5Si
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name(4-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol
SMILESC[Si](C)(C)CCOCOC(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H21NO5Si/c1-20(2,3)9-8-18-10-19-13(15)11-4-6-12(7-5-11)14(16)17/h4-7,13,15H,8-10H2,1-3H3
InChIKeyJGXLUCRVPKGFCI-UHFFFAOYSA-N
XLogP2.91
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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

(4-nitrophenoxy)-(2-trimethylsilylethoxy)methanol
CID 59730458
trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane
CID 173236661
trimethyl-[2-[[5-(4-nitrophenyl)imidazol-1-yl]methoxy]ethyl]silane
CID 22018541
(S)-2-[4-[2-[4-(diethylamino)phenyl]ethenyl]-N-ethylanilino]ethoxy-(4-nitrophenyl)methanol
CID 123457126
bis(4-nitrophenyl)methanol
CID 12768612
trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane
CID 11637903
1-[1-chloro-2-[2-chloro-2-(4-nitrophenyl)ethoxy]ethyl]-4-nitrobenzene
CID 121005161
(1S)-1-[4-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol
CID 78933389
(1R,3S)-1-(4-nitrophenyl)butane-1,3-diol
CID 54753607
1-(1-methoxypropan-2-yl)-4-nitrobenzene
CID 86111209
4-hydroxy-1-methoxy-4-(4-nitrophenyl)butan-2-one
CID 11402179
(1S,2S)-2-(diethylamino)-1-(4-nitrophenyl)propane-1,3-diol
CID 71362664

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol?
The IUPAC name of (4-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol (CID 68894749) is (4-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol.
What is the SMILES notation for (4-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol?
The canonical SMILES for (4-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol is C[Si](C)(C)CCOCOC(O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol?
The InChIKey is JGXLUCRVPKGFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5Si/c1-20(2,3)9-8-18-10-19-13(15)11-4-6-12(7-5-11)14(16)17/h4-7,13,15H,8-10H2,1-3H3.
What are the key properties of (4-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol?
(4-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol has a molecular weight of 299.40 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol is sourced from PubChem (CID 68894749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).