1,3-bis(iodomethyl)-2-methylbenzene

C9H10I2 — CID 67628819

IUPAC1,3-bis(iodomethyl)-2-methylbenzene
SMILESCc1c(CI)cccc1CI
InChIInChI=1S/C9H10I2/c1-7-8(5-10)3-2-4-9(7)6-11/h2-4H,5-6H2,1H3
InChIKeyUIUVXHXUJNCLGU-UHFFFAOYSA-N
MW371.99 g/mol
LogP3.87
Rot. Bonds2

About 1,3-bis(iodomethyl)-2-methylbenzene

1,3-bis(iodomethyl)-2-methylbenzene (PubChem CID 67628819) has the molecular formula C9H10I2 and a molecular weight of 371.99 g/mol. Its IUPAC name is 1,3-bis(iodomethyl)-2-methylbenzene.

Molecular Properties

Compound Name1,3-bis(iodomethyl)-2-methylbenzene
PubChem CID67628819
Molecular FormulaC9H10I2
Molecular Weight371.99 g/mol
Exact Mass371.89
IUPAC Name1,3-bis(iodomethyl)-2-methylbenzene
SMILESCc1c(CI)cccc1CI
InChIInChI=1S/C9H10I2/c1-7-8(5-10)3-2-4-9(7)6-11/h2-4H,5-6H2,1H3
InChIKeyUIUVXHXUJNCLGU-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.99
LogP ≤ 53.87
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

1-(iodomethyl)-2-methyl-3-[(2-methylphenyl)methyl]benzene
CID 163476311
2-[3-(iodomethyl)-2-methylanilino]benzoic acid
CID 129146645
1,2-bis(iodomethyl)benzene;1,3-bis(iodomethyl)benzene
CID 67650229
1,2-dichloro-3-(iodomethyl)benzene
CID 107310418
CID 142398136
CID 142398136
2-methyl-1,3-bis(propan-2-yloxymethyl)benzene
CID 101195448
acetic acid;[3-(hydroxymethyl)-2-methylphenyl]methanol
CID 71387319
[3-(aminomethyl)-2-methylphenyl]methanol
CID 45091737
2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid
CID 134620938
1-[2-chloro-6-(iodomethyl)phenyl]ethanone
CID 89224717
1,4-bis(iodomethyl)naphthalene
CID 139917317
1-(bromomethyl)-3-[3-(bromomethyl)-2-methylphenyl]-2-methylbenzene
CID 15335999

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(iodomethyl)-2-methylbenzene?
The IUPAC name of 1,3-bis(iodomethyl)-2-methylbenzene (CID 67628819) is 1,3-bis(iodomethyl)-2-methylbenzene.
What is the SMILES notation for 1,3-bis(iodomethyl)-2-methylbenzene?
The canonical SMILES for 1,3-bis(iodomethyl)-2-methylbenzene is Cc1c(CI)cccc1CI.
What is the InChIKey of 1,3-bis(iodomethyl)-2-methylbenzene?
The InChIKey is UIUVXHXUJNCLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10I2/c1-7-8(5-10)3-2-4-9(7)6-11/h2-4H,5-6H2,1H3.
What are the key properties of 1,3-bis(iodomethyl)-2-methylbenzene?
1,3-bis(iodomethyl)-2-methylbenzene has a molecular weight of 371.99 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(iodomethyl)-2-methylbenzene is sourced from PubChem (CID 67628819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).