1,3-dimethyl-5-(3-nitrophenyl)tellanylbenzene

C14H13NO2Te — CID 11360219

IUPAC1,3-dimethyl-5-(3-nitrophenyl)tellanylbenzene
SMILESCc1cc(C)cc([Te]c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H13NO2Te/c1-10-6-11(2)8-14(7-10)18-13-5-3-4-12(9-13)15(16)17/h3-9H,1-2H3
InChIKeyLZHFNVWFSIRKCQ-UHFFFAOYSA-N
MW354.86 g/mol
LogP1.87
Rot. Bonds3

About 1,3-dimethyl-5-(3-nitrophenyl)tellanylbenzene

1,3-dimethyl-5-(3-nitrophenyl)tellanylbenzene (PubChem CID 11360219) has the molecular formula C14H13NO2Te and a molecular weight of 354.86 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-nitrophenyl)tellanylbenzene.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-nitrophenyl)tellanylbenzene
PubChem CID11360219
Molecular FormulaC14H13NO2Te
Molecular Weight354.86 g/mol
Exact Mass357.00
IUPAC Name1,3-dimethyl-5-(3-nitrophenyl)tellanylbenzene
SMILESCc1cc(C)cc([Te]c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H13NO2Te/c1-10-6-11(2)8-14(7-10)18-13-5-3-4-12(9-13)15(16)17/h3-9H,1-2H3
InChIKeyLZHFNVWFSIRKCQ-UHFFFAOYSA-N
XLogP1.87
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-nitro-3-phenyltellanylbenzene
CID 12728669
1-methyl-3-nitrobenzene
CID 7422
1-methyl-3-nitrobenzene chloride
CID 20509973
azane;1-methyl-3-nitrobenzene
CID 174504430
1,3-dinitrobenzene;3-methylaniline
CID 158923372
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006
1-methyl-3-[(3-nitrophenyl)methyl]benzene
CID 18724473
1,3-dinitrobenzene;2-propan-2-yloxypropane;1,2-xylene
CID 174567098
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
N-methyl-1-(3-nitrophenyl)methanimine oxide
CID 4640980
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-nitrophenyl)tellanylbenzene?
The IUPAC name of 1,3-dimethyl-5-(3-nitrophenyl)tellanylbenzene (CID 11360219) is 1,3-dimethyl-5-(3-nitrophenyl)tellanylbenzene.
What is the SMILES notation for 1,3-dimethyl-5-(3-nitrophenyl)tellanylbenzene?
The canonical SMILES for 1,3-dimethyl-5-(3-nitrophenyl)tellanylbenzene is Cc1cc(C)cc([Te]c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 1,3-dimethyl-5-(3-nitrophenyl)tellanylbenzene?
The InChIKey is LZHFNVWFSIRKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2Te/c1-10-6-11(2)8-14(7-10)18-13-5-3-4-12(9-13)15(16)17/h3-9H,1-2H3.
What are the key properties of 1,3-dimethyl-5-(3-nitrophenyl)tellanylbenzene?
1,3-dimethyl-5-(3-nitrophenyl)tellanylbenzene has a molecular weight of 354.86 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-nitrophenyl)tellanylbenzene is sourced from PubChem (CID 11360219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).