[4-(chloromethyl)-2-nitrophenoxy]-trimethylsilane

C10H14ClNO3Si — CID 167726624

IUPAC[4-(chloromethyl)-2-nitrophenoxy]-trimethylsilane
SMILESC[Si](C)(C)Oc1ccc(CCl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14ClNO3Si/c1-16(2,3)15-10-5-4-8(7-11)6-9(10)12(13)14/h4-6H,7H2,1-3H3
InChIKeyGEBDKFHKKJJIKN-UHFFFAOYSA-N
MW259.77 g/mol
LogP3.55
Rot. Bonds4

About [4-(chloromethyl)-2-nitrophenoxy]-trimethylsilane

[4-(chloromethyl)-2-nitrophenoxy]-trimethylsilane (PubChem CID 167726624) has the molecular formula C10H14ClNO3Si and a molecular weight of 259.77 g/mol. Its IUPAC name is [4-(chloromethyl)-2-nitrophenoxy]-trimethylsilane.

Molecular Properties

Compound Name[4-(chloromethyl)-2-nitrophenoxy]-trimethylsilane
PubChem CID167726624
Molecular FormulaC10H14ClNO3Si
Molecular Weight259.77 g/mol
Exact Mass259.04
IUPAC Name[4-(chloromethyl)-2-nitrophenoxy]-trimethylsilane
SMILESC[Si](C)(C)Oc1ccc(CCl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14ClNO3Si/c1-16(2,3)15-10-5-4-8(7-11)6-9(10)12(13)14/h4-6H,7H2,1-3H3
InChIKeyGEBDKFHKKJJIKN-UHFFFAOYSA-N
XLogP3.55
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.77
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

4-(chloromethyl)-2-nitro-1-pentoxybenzene
CID 14143299
5-(chloromethyl)-2-trimethylsilyloxybenzaldehyde
CID 167714406
1,2,4-trichloro-5-[4-(chloromethyl)-2-nitrophenoxy]benzene
CID 28964661
2-[4-(chloromethyl)-2-nitrophenoxy]-1-fluoro-4-methylbenzene
CID 64855803
4-(chloromethyl)-1-[(3-methylphenyl)methoxy]-2-nitrobenzene
CID 43137783
4-(2-chloroethyl)-1-methoxy-2-nitrobenzene
CID 19438355
4-[4-(chloromethyl)-2-nitrophenoxy]-2-fluoro-1-methylbenzene
CID 107169704
4-(chloromethyl)-2-nitro-1-(4,4,4-trifluorobutoxy)benzene
CID 115514392
1,2-dichloro-4-[4-(chloromethyl)-2-methylphenoxy]-5-nitrobenzene
CID 107500402
4-[4-(chloromethyl)-2-nitrophenoxy]benzonitrile
CID 28964838
1-(4-bromo-2-chlorophenoxy)-4-(chloromethyl)-2-nitrobenzene
CID 28964890
1-(4-bromo-2-fluorophenoxy)-4-(chloromethyl)-2-nitrobenzene
CID 28971397

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)-2-nitrophenoxy]-trimethylsilane?
The IUPAC name of [4-(chloromethyl)-2-nitrophenoxy]-trimethylsilane (CID 167726624) is [4-(chloromethyl)-2-nitrophenoxy]-trimethylsilane.
What is the SMILES notation for [4-(chloromethyl)-2-nitrophenoxy]-trimethylsilane?
The canonical SMILES for [4-(chloromethyl)-2-nitrophenoxy]-trimethylsilane is C[Si](C)(C)Oc1ccc(CCl)cc1[N+](=O)[O-].
What is the InChIKey of [4-(chloromethyl)-2-nitrophenoxy]-trimethylsilane?
The InChIKey is GEBDKFHKKJJIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3Si/c1-16(2,3)15-10-5-4-8(7-11)6-9(10)12(13)14/h4-6H,7H2,1-3H3.
What are the key properties of [4-(chloromethyl)-2-nitrophenoxy]-trimethylsilane?
[4-(chloromethyl)-2-nitrophenoxy]-trimethylsilane has a molecular weight of 259.77 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)-2-nitrophenoxy]-trimethylsilane is sourced from PubChem (CID 167726624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).