1-(3-chloropropyl)-2-ethyl-3-iodobenzene

C11H14ClI — CID 118818907

IUPAC1-(3-chloropropyl)-2-ethyl-3-iodobenzene
SMILESCCc1c(I)cccc1CCCCl
InChIInChI=1S/C11H14ClI/c1-2-10-9(6-4-8-12)5-3-7-11(10)13/h3,5,7H,2,4,6,8H2,1H3
InChIKeyUOWGERXGHVKIFD-UHFFFAOYSA-N
MW308.59 g/mol
LogP4.03
Rot. Bonds4

About 1-(3-chloropropyl)-2-ethyl-3-iodobenzene

1-(3-chloropropyl)-2-ethyl-3-iodobenzene (PubChem CID 118818907) has the molecular formula C11H14ClI and a molecular weight of 308.59 g/mol. Its IUPAC name is 1-(3-chloropropyl)-2-ethyl-3-iodobenzene.

Molecular Properties

Compound Name1-(3-chloropropyl)-2-ethyl-3-iodobenzene
PubChem CID118818907
Molecular FormulaC11H14ClI
Molecular Weight308.59 g/mol
Exact Mass307.98
IUPAC Name1-(3-chloropropyl)-2-ethyl-3-iodobenzene
SMILESCCc1c(I)cccc1CCCCl
InChIInChI=1S/C11H14ClI/c1-2-10-9(6-4-8-12)5-3-7-11(10)13/h3,5,7H,2,4,6,8H2,1H3
InChIKeyUOWGERXGHVKIFD-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.59
LogP ≤ 54.03
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-(3-chloropropyl)-3-ethoxy-2-ethylbenzene
CID 118802073
2-bromo-1-(3-chloropropyl)-3-iodobenzene
CID 118990354
1-(3-chloropropyl)-2-ethyl-3-nitrobenzene
CID 118818877
1,3-dibutyl-2-ethylbenzene
CID 22713046
2-(3-chloropropyl)-1-ethoxy-3-ethylbenzene
CID 118835911
3-(2-ethyl-6-iodophenyl)propanenitrile
CID 131190649
2-ethyl-3-(3-hydroxypropyl)phenol
CID 123721152
[3-(3-chloropropyl)-2-methylphenyl]methanol
CID 134621907
1,2,3-tributylbenzene;hydrate
CID 172716323
1-chloro-3-(3-chloropropyl)-2-fluorobenzene
CID 53434110
2-[2-(3-chloropropyl)-3-iodophenyl]-2-hydroxyacetic acid
CID 134657421
1-(3-chloropropyl)-2-iodo-3-nitrobenzene
CID 170836492

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-2-ethyl-3-iodobenzene?
The IUPAC name of 1-(3-chloropropyl)-2-ethyl-3-iodobenzene (CID 118818907) is 1-(3-chloropropyl)-2-ethyl-3-iodobenzene.
What is the SMILES notation for 1-(3-chloropropyl)-2-ethyl-3-iodobenzene?
The canonical SMILES for 1-(3-chloropropyl)-2-ethyl-3-iodobenzene is CCc1c(I)cccc1CCCCl.
What is the InChIKey of 1-(3-chloropropyl)-2-ethyl-3-iodobenzene?
The InChIKey is UOWGERXGHVKIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClI/c1-2-10-9(6-4-8-12)5-3-7-11(10)13/h3,5,7H,2,4,6,8H2,1H3.
What are the key properties of 1-(3-chloropropyl)-2-ethyl-3-iodobenzene?
1-(3-chloropropyl)-2-ethyl-3-iodobenzene has a molecular weight of 308.59 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-2-ethyl-3-iodobenzene is sourced from PubChem (CID 118818907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).