4-(chloromethyl)-2-(3-chloropropyl)-1-iodobenzene

C10H11Cl2I — CID 131299885

IUPAC4-(chloromethyl)-2-(3-chloropropyl)-1-iodobenzene
SMILESClCCCc1cc(CCl)ccc1I
InChIInChI=1S/C10H11Cl2I/c11-5-1-2-9-6-8(7-12)3-4-10(9)13/h3-4,6H,1-2,5,7H2
InChIKeyVGKXSGUYICVGMZ-UHFFFAOYSA-N
MW329.01 g/mol
LogP4.20
Rot. Bonds4

About 4-(chloromethyl)-2-(3-chloropropyl)-1-iodobenzene

4-(chloromethyl)-2-(3-chloropropyl)-1-iodobenzene (PubChem CID 131299885) has the molecular formula C10H11Cl2I and a molecular weight of 329.01 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(3-chloropropyl)-1-iodobenzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-(3-chloropropyl)-1-iodobenzene
PubChem CID131299885
Molecular FormulaC10H11Cl2I
Molecular Weight329.01 g/mol
Exact Mass327.93
IUPAC Name4-(chloromethyl)-2-(3-chloropropyl)-1-iodobenzene
SMILESClCCCc1cc(CCl)ccc1I
InChIInChI=1S/C10H11Cl2I/c11-5-1-2-9-6-8(7-12)3-4-10(9)13/h3-4,6H,1-2,5,7H2
InChIKeyVGKXSGUYICVGMZ-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.01
LogP ≤ 54.20
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

2-(3-chloropropyl)-4-fluoro-1-iodobenzene
CID 118801951
2-bromo-4-(3-chloropropyl)-1-iodobenzene
CID 119011604
1,4-bis(chloromethyl)-2-iodobenzene
CID 134821742
2-bromo-4-(chloromethyl)-1-iodobenzene
CID 19261558
2-(3-chloropropyl)-1,4-diethylbenzene
CID 83920895
1,4-bis(chloromethyl)-2-pentylbenzene
CID 69328876
ethyl 5-(chloromethyl)-2-(3-chloropropyl)benzoate
CID 134649178
2-(chloromethyl)-4-(3-chloropropyl)-1-methylsulfanylbenzene
CID 131625677
2-bromo-1-(3-chloropropyl)-3-iodobenzene
CID 118990354
1-chloro-4-(3-chloropropyl)-2-ethylbenzene
CID 170836970
4-chloro-2-(chloromethyl)-1-iodobenzene
CID 58677341
2,4-bis(chloromethyl)-1-fluorobenzene
CID 165357761

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(3-chloropropyl)-1-iodobenzene?
The IUPAC name of 4-(chloromethyl)-2-(3-chloropropyl)-1-iodobenzene (CID 131299885) is 4-(chloromethyl)-2-(3-chloropropyl)-1-iodobenzene.
What is the SMILES notation for 4-(chloromethyl)-2-(3-chloropropyl)-1-iodobenzene?
The canonical SMILES for 4-(chloromethyl)-2-(3-chloropropyl)-1-iodobenzene is ClCCCc1cc(CCl)ccc1I.
What is the InChIKey of 4-(chloromethyl)-2-(3-chloropropyl)-1-iodobenzene?
The InChIKey is VGKXSGUYICVGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2I/c11-5-1-2-9-6-8(7-12)3-4-10(9)13/h3-4,6H,1-2,5,7H2.
What are the key properties of 4-(chloromethyl)-2-(3-chloropropyl)-1-iodobenzene?
4-(chloromethyl)-2-(3-chloropropyl)-1-iodobenzene has a molecular weight of 329.01 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(3-chloropropyl)-1-iodobenzene is sourced from PubChem (CID 131299885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).