1-ethyl-3-methyliodanuidylbenzene

C9H12I- — CID 132989510

IUPAC1-ethyl-3-methyliodanuidylbenzene
SMILESCCc1cccc([I-]C)c1
InChIInChI=1S/C9H12I/c1-3-8-5-4-6-9(7-8)10-2/h4-7H,3H2,1-2H3/q-1
InChIKeyNPNWQFUKHQPNRP-UHFFFAOYSA-N
MW247.10 g/mol
LogP-0.86
Rot. Bonds2

About 1-ethyl-3-methyliodanuidylbenzene

1-ethyl-3-methyliodanuidylbenzene (PubChem CID 132989510) has the molecular formula C9H12I- and a molecular weight of 247.10 g/mol. Its IUPAC name is 1-ethyl-3-methyliodanuidylbenzene.

Molecular Properties

Compound Name1-ethyl-3-methyliodanuidylbenzene
PubChem CID132989510
Molecular FormulaC9H12I-
Molecular Weight247.10 g/mol
Exact Mass247.00
IUPAC Name1-ethyl-3-methyliodanuidylbenzene
SMILESCCc1cccc([I-]C)c1
InChIInChI=1S/C9H12I/c1-3-8-5-4-6-9(7-8)10-2/h4-7H,3H2,1-2H3/q-1
InChIKeyNPNWQFUKHQPNRP-UHFFFAOYSA-N
XLogP-0.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 5-0.86
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

ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
(3-ethylphenyl)phosphanium chloride
CID 172678220
1-ethyl-3-(2,3,3-trimethylbutan-2-yl)benzene
CID 59692130
1-bromo-3-ethylbenzene;methane
CID 158533972
1-bromo-3-ethylbenzene;ethane
CID 143778556
1-ethyl-3-methylbenzene;methanamine
CID 167447790
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
CID 142234695
CID 142234695
1-ethyl-3-phenylbenzene;propane
CID 145466525
1-ethyl-3-methylsulfanylbenzene
CID 14944133
ethane;1-ethyl-3-methylbenzene;methane;propane
CID 161003738
1-ethyl-3-(methoxymethyl)benzene
CID 54065687

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyliodanuidylbenzene?
The IUPAC name of 1-ethyl-3-methyliodanuidylbenzene (CID 132989510) is 1-ethyl-3-methyliodanuidylbenzene.
What is the SMILES notation for 1-ethyl-3-methyliodanuidylbenzene?
The canonical SMILES for 1-ethyl-3-methyliodanuidylbenzene is CCc1cccc([I-]C)c1.
What is the InChIKey of 1-ethyl-3-methyliodanuidylbenzene?
The InChIKey is NPNWQFUKHQPNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12I/c1-3-8-5-4-6-9(7-8)10-2/h4-7H,3H2,1-2H3/q-1.
What are the key properties of 1-ethyl-3-methyliodanuidylbenzene?
1-ethyl-3-methyliodanuidylbenzene has a molecular weight of 247.10 g/mol, XLogP of -0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyliodanuidylbenzene is sourced from PubChem (CID 132989510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).