1-(iodomethyl)-4-(3-iodopropyl)benzene

C10H12I2 — CID 133059698

IUPAC1-(iodomethyl)-4-(3-iodopropyl)benzene
SMILESICCCc1ccc(CI)cc1
InChIInChI=1S/C10H12I2/c11-7-1-2-9-3-5-10(8-12)6-4-9/h3-6H,1-2,7-8H2
InChIKeyPAFFYGJHJYVBKN-UHFFFAOYSA-N
MW386.01 g/mol
LogP3.99
Rot. Bonds4

About 1-(iodomethyl)-4-(3-iodopropyl)benzene

1-(iodomethyl)-4-(3-iodopropyl)benzene (PubChem CID 133059698) has the molecular formula C10H12I2 and a molecular weight of 386.01 g/mol. Its IUPAC name is 1-(iodomethyl)-4-(3-iodopropyl)benzene.

Molecular Properties

Compound Name1-(iodomethyl)-4-(3-iodopropyl)benzene
PubChem CID133059698
Molecular FormulaC10H12I2
Molecular Weight386.01 g/mol
Exact Mass385.90
IUPAC Name1-(iodomethyl)-4-(3-iodopropyl)benzene
SMILESICCCc1ccc(CI)cc1
InChIInChI=1S/C10H12I2/c11-7-1-2-9-3-5-10(8-12)6-4-9/h3-6H,1-2,7-8H2
InChIKeyPAFFYGJHJYVBKN-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.01
LogP ≤ 53.99
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

1,4-bis(3-iodopropyl)benzene
CID 71377455
1,4-bis(4-iodobutyl)benzene
CID 11775071
1-(3-iodopropyl)-4-methylbenzene
CID 18402542
4-(6-iodohexyl)phenol
CID 23455799
7-iodoheptylbenzene
CID 14529673
4-(4-iodobutyl)benzoic acid
CID 86118519
4-(iodomethyl)phenol
CID 11241787
2,4-difluoro-1-[4-(3-iodopropyl)phenyl]benzene
CID 25223670
1,3-dibromo-5-(3-iodopropyl)benzene
CID 22613629
8-iodooct-4-ynylbenzene
CID 139920502
5-(3-iodopropyl)-2-(trifluoromethyl)pyridine
CID 54758386
1-(iodomethyl)-4-prop-1-enylbenzene
CID 76734170

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-4-(3-iodopropyl)benzene?
The IUPAC name of 1-(iodomethyl)-4-(3-iodopropyl)benzene (CID 133059698) is 1-(iodomethyl)-4-(3-iodopropyl)benzene.
What is the SMILES notation for 1-(iodomethyl)-4-(3-iodopropyl)benzene?
The canonical SMILES for 1-(iodomethyl)-4-(3-iodopropyl)benzene is ICCCc1ccc(CI)cc1.
What is the InChIKey of 1-(iodomethyl)-4-(3-iodopropyl)benzene?
The InChIKey is PAFFYGJHJYVBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12I2/c11-7-1-2-9-3-5-10(8-12)6-4-9/h3-6H,1-2,7-8H2.
What are the key properties of 1-(iodomethyl)-4-(3-iodopropyl)benzene?
1-(iodomethyl)-4-(3-iodopropyl)benzene has a molecular weight of 386.01 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-4-(3-iodopropyl)benzene is sourced from PubChem (CID 133059698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).