iodomethylbenzene;toluene

C14H15I — CID 160571748

IUPACiodomethylbenzene;toluene
SMILESCc1ccccc1.ICc1ccccc1
InChIInChI=1S/C7H7I.C7H8/c8-6-7-4-2-1-3-5-7;1-7-5-3-2-4-6-7/h1-5H,6H2;2-6H,1H3
InChIKeyRAQGINJIBLKEBR-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.62
Rot. Bonds1

About iodomethylbenzene;toluene

iodomethylbenzene;toluene (PubChem CID 160571748) has the molecular formula C14H15I and a molecular weight of 310.18 g/mol. Its IUPAC name is iodomethylbenzene;toluene.

Molecular Properties

Compound Nameiodomethylbenzene;toluene
PubChem CID160571748
Molecular FormulaC14H15I
Molecular Weight310.18 g/mol
Exact Mass310.02
IUPAC Nameiodomethylbenzene;toluene
SMILESCc1ccccc1.ICc1ccccc1
InChIInChI=1S/C7H7I.C7H8/c8-6-7-4-2-1-3-5-7;1-7-5-3-2-4-6-7/h1-5H,6H2;2-6H,1H3
InChIKeyRAQGINJIBLKEBR-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.62
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

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CID 173496893
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CID 22023820
benzylbenzene;propane;toluene
CID 90753545
1-benzyl-4-methylbenzene;toluene
CID 144690555
ethane;ethylbenzene;toluene
CID 159408087
propane;toluene
CID 91263172
benzene;propane;toluene
CID 91053661
propane;toluene
CID 91364516
hydron;toluene
CID 173046685
toluene;tetrahydrochloride
CID 174345064

Frequently Asked Questions

What is the IUPAC name of iodomethylbenzene;toluene?
The IUPAC name of iodomethylbenzene;toluene (CID 160571748) is iodomethylbenzene;toluene.
What is the SMILES notation for iodomethylbenzene;toluene?
The canonical SMILES for iodomethylbenzene;toluene is Cc1ccccc1.ICc1ccccc1.
What is the InChIKey of iodomethylbenzene;toluene?
The InChIKey is RAQGINJIBLKEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7I.C7H8/c8-6-7-4-2-1-3-5-7;1-7-5-3-2-4-6-7/h1-5H,6H2;2-6H,1H3.
What are the key properties of iodomethylbenzene;toluene?
iodomethylbenzene;toluene has a molecular weight of 310.18 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethylbenzene;toluene is sourced from PubChem (CID 160571748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).