(4-nitrophenoxy)-(2-trimethylsilylethoxy)methanol

C12H19NO5Si — CID 59730458

IUPAC(4-nitrophenoxy)-(2-trimethylsilylethoxy)methanol
SMILESC[Si](C)(C)CCOC(O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H19NO5Si/c1-19(2,3)9-8-17-12(14)18-11-6-4-10(5-7-11)13(15)16/h4-7,12,14H,8-9H2,1-3H3
InChIKeyARXLYEBWDSYLAU-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.60
Rot. Bonds7

About (4-nitrophenoxy)-(2-trimethylsilylethoxy)methanol

(4-nitrophenoxy)-(2-trimethylsilylethoxy)methanol (PubChem CID 59730458) has the molecular formula C12H19NO5Si and a molecular weight of 285.37 g/mol. Its IUPAC name is (4-nitrophenoxy)-(2-trimethylsilylethoxy)methanol.

Molecular Properties

Compound Name(4-nitrophenoxy)-(2-trimethylsilylethoxy)methanol
PubChem CID59730458
Molecular FormulaC12H19NO5Si
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name(4-nitrophenoxy)-(2-trimethylsilylethoxy)methanol
SMILESC[Si](C)(C)CCOC(O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H19NO5Si/c1-19(2,3)9-8-17-12(14)18-11-6-4-10(5-7-11)13(15)16/h4-7,12,14H,8-9H2,1-3H3
InChIKeyARXLYEBWDSYLAU-UHFFFAOYSA-N
XLogP2.60
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-nitrophenyl)-(2-trimethylsilylethoxymethoxy)methanol
CID 68894749
trihydroxy-(4-nitrophenoxy)phosphanium
CID 70832943
(2S)-2-(4-nitrophenoxy)propanoic acid
CID 7922614
N,N-dimethyl-2-(4-nitrophenoxy)propanamide
CID 43887389
(2S)-2-(4-nitrophenoxy)butanoate
CID 7858570
(2R)-2-(4-nitrophenoxy)butanoic acid
CID 7019234
N-ethyl-2-(4-nitrophenoxy)propanamide
CID 4951333
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
(2S)-4-methyl-1-(4-nitrophenoxy)pentan-2-ol
CID 139311755
1-amino-3-chloro-1-(4-nitrophenoxy)propan-2-one
CID 88657132
1-(1-chloropentoxy)-4-nitrobenzene
CID 175239946
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenoxy)-(2-trimethylsilylethoxy)methanol?
The IUPAC name of (4-nitrophenoxy)-(2-trimethylsilylethoxy)methanol (CID 59730458) is (4-nitrophenoxy)-(2-trimethylsilylethoxy)methanol.
What is the SMILES notation for (4-nitrophenoxy)-(2-trimethylsilylethoxy)methanol?
The canonical SMILES for (4-nitrophenoxy)-(2-trimethylsilylethoxy)methanol is C[Si](C)(C)CCOC(O)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenoxy)-(2-trimethylsilylethoxy)methanol?
The InChIKey is ARXLYEBWDSYLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5Si/c1-19(2,3)9-8-17-12(14)18-11-6-4-10(5-7-11)13(15)16/h4-7,12,14H,8-9H2,1-3H3.
What are the key properties of (4-nitrophenoxy)-(2-trimethylsilylethoxy)methanol?
(4-nitrophenoxy)-(2-trimethylsilylethoxy)methanol has a molecular weight of 285.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenoxy)-(2-trimethylsilylethoxy)methanol is sourced from PubChem (CID 59730458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).