chloro-[3-methoxy-3-(2-nitrophenyl)propyl]mercury

C10H12ClHgNO3 — CID 14066916

IUPACchloro-[3-methoxy-3-(2-nitrophenyl)propyl]mercury
SMILESCOC(CC[Hg]Cl)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H12NO3.ClH.Hg/c1-3-10(14-2)8-6-4-5-7-9(8)11(12)13;;/h4-7,10H,1,3H2,2H3;1H;/q;;+1/p-1
InChIKeyOIYBOEWKVJLLLG-UHFFFAOYSA-M
MW430.25 g/mol
LogP3.33
Rot. Bonds6

About chloro-[3-methoxy-3-(2-nitrophenyl)propyl]mercury

chloro-[3-methoxy-3-(2-nitrophenyl)propyl]mercury (PubChem CID 14066916) has the molecular formula C10H12ClHgNO3 and a molecular weight of 430.25 g/mol. Its IUPAC name is chloro-[3-methoxy-3-(2-nitrophenyl)propyl]mercury.

Molecular Properties

Compound Namechloro-[3-methoxy-3-(2-nitrophenyl)propyl]mercury
PubChem CID14066916
Molecular FormulaC10H12ClHgNO3
Molecular Weight430.25 g/mol
Exact Mass431.02
IUPAC Namechloro-[3-methoxy-3-(2-nitrophenyl)propyl]mercury
SMILESCOC(CC[Hg]Cl)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H12NO3.ClH.Hg/c1-3-10(14-2)8-6-4-5-7-9(8)11(12)13;;/h4-7,10H,1,3H2,2H3;1H;/q;;+1/p-1
InChIKeyOIYBOEWKVJLLLG-UHFFFAOYSA-M
XLogP3.33
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(1-methoxy-2-methylpropyl)-2-nitrobenzene
CID 173058022
3-butoxy-3-(2-nitrophenyl)propan-1-ol
CID 67900495
(2R,3R)-2,3-dimethoxy-3-(2-nitrophenyl)propan-1-amine
CID 71764907
methyl (2S,3R)-2,3-dihydroxy-3-(2-nitrophenyl)propanoate
CID 90019008
1-(1-methoxysulfanylpropan-2-yl)-2-nitrobenzene
CID 69497659
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90623723
ethyl 2-chloro-2-(2-nitrophenyl)acetate
CID 104574680
(1S)-3-methoxy-1-(2-nitrophenyl)but-3-en-1-ol
CID 101169097
(1R)-1-(2-nitrophenyl)pentan-1-ol
CID 129395875
methyl (2S)-2-hydroxy-2-(2-nitrophenyl)acetate
CID 7054379
methyl (2S)-2-(2-nitrophenyl)propanoate
CID 129390195
1-(dibromomethyl)-2-nitrobenzene
CID 11066341

Frequently Asked Questions

What is the IUPAC name of chloro-[3-methoxy-3-(2-nitrophenyl)propyl]mercury?
The IUPAC name of chloro-[3-methoxy-3-(2-nitrophenyl)propyl]mercury (CID 14066916) is chloro-[3-methoxy-3-(2-nitrophenyl)propyl]mercury.
What is the SMILES notation for chloro-[3-methoxy-3-(2-nitrophenyl)propyl]mercury?
The canonical SMILES for chloro-[3-methoxy-3-(2-nitrophenyl)propyl]mercury is COC(CC[Hg]Cl)c1ccccc1[N+](=O)[O-].
What is the InChIKey of chloro-[3-methoxy-3-(2-nitrophenyl)propyl]mercury?
The InChIKey is OIYBOEWKVJLLLG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12NO3.ClH.Hg/c1-3-10(14-2)8-6-4-5-7-9(8)11(12)13;;/h4-7,10H,1,3H2,2H3;1H;/q;;+1/p-1.
What are the key properties of chloro-[3-methoxy-3-(2-nitrophenyl)propyl]mercury?
chloro-[3-methoxy-3-(2-nitrophenyl)propyl]mercury has a molecular weight of 430.25 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[3-methoxy-3-(2-nitrophenyl)propyl]mercury is sourced from PubChem (CID 14066916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).