1,2-dimethyl-3-methyliodanuidylbenzene

C9H12I- — CID 147524780

IUPAC1,2-dimethyl-3-methyliodanuidylbenzene
SMILESC[I-]c1cccc(C)c1C
InChIInChI=1S/C9H12I/c1-7-5-4-6-9(10-3)8(7)2/h4-6H,1-3H3/q-1
InChIKeyCNLPDDROPWVJSD-UHFFFAOYSA-N
MW247.10 g/mol
LogP-0.81
Rot. Bonds1

About 1,2-dimethyl-3-methyliodanuidylbenzene

1,2-dimethyl-3-methyliodanuidylbenzene (PubChem CID 147524780) has the molecular formula C9H12I- and a molecular weight of 247.10 g/mol. Its IUPAC name is 1,2-dimethyl-3-methyliodanuidylbenzene.

Molecular Properties

Compound Name1,2-dimethyl-3-methyliodanuidylbenzene
PubChem CID147524780
Molecular FormulaC9H12I-
Molecular Weight247.10 g/mol
Exact Mass247.00
IUPAC Name1,2-dimethyl-3-methyliodanuidylbenzene
SMILESC[I-]c1cccc(C)c1C
InChIInChI=1S/C9H12I/c1-7-5-4-6-9(10-3)8(7)2/h4-6H,1-3H3/q-1
InChIKeyCNLPDDROPWVJSD-UHFFFAOYSA-N
XLogP-0.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzene;1,2,3-trimethylbenzene
CID 159605245
ethane;1,2,3-trimethylbenzene
CID 54068667
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
1-fluoro-2,3-dimethylbenzene;formonitrile
CID 144500110
1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
CID 158486906
methane;1,2,3-trimethylbenzene;1,2-xylene
CID 157250417
(2,3-dimethylphenyl)-trimethylsilane
CID 45357324
dichlororuthenium;1,2,3-trimethylbenzene
CID 87163409
methylsulfinylmethane;1,2,3-trimethylbenzene
CID 174947389
acetylene;1-ethyl-2,3-dimethylbenzene
CID 174688234
acetylene;N-(2,6-dimethylphenyl)ethanimine
CID 142169551
acetylene;1,2-xylene
CID 175515922

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-methyliodanuidylbenzene?
The IUPAC name of 1,2-dimethyl-3-methyliodanuidylbenzene (CID 147524780) is 1,2-dimethyl-3-methyliodanuidylbenzene.
What is the SMILES notation for 1,2-dimethyl-3-methyliodanuidylbenzene?
The canonical SMILES for 1,2-dimethyl-3-methyliodanuidylbenzene is C[I-]c1cccc(C)c1C.
What is the InChIKey of 1,2-dimethyl-3-methyliodanuidylbenzene?
The InChIKey is CNLPDDROPWVJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12I/c1-7-5-4-6-9(10-3)8(7)2/h4-6H,1-3H3/q-1.
What are the key properties of 1,2-dimethyl-3-methyliodanuidylbenzene?
1,2-dimethyl-3-methyliodanuidylbenzene has a molecular weight of 247.10 g/mol, XLogP of -0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-methyliodanuidylbenzene is sourced from PubChem (CID 147524780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).