4-(3-bromopropyl)-2-ethyl-1-iodobenzene

C11H14BrI — CID 118835842

IUPAC4-(3-bromopropyl)-2-ethyl-1-iodobenzene
SMILESCCc1cc(CCCBr)ccc1I
InChIInChI=1S/C11H14BrI/c1-2-10-8-9(4-3-7-12)5-6-11(10)13/h5-6,8H,2-4,7H2,1H3
InChIKeyUNXHCYUYXNYYCY-UHFFFAOYSA-N
MW353.04 g/mol
LogP4.18
Rot. Bonds4

About 4-(3-bromopropyl)-2-ethyl-1-iodobenzene

4-(3-bromopropyl)-2-ethyl-1-iodobenzene (PubChem CID 118835842) has the molecular formula C11H14BrI and a molecular weight of 353.04 g/mol. Its IUPAC name is 4-(3-bromopropyl)-2-ethyl-1-iodobenzene.

Molecular Properties

Compound Name4-(3-bromopropyl)-2-ethyl-1-iodobenzene
PubChem CID118835842
Molecular FormulaC11H14BrI
Molecular Weight353.04 g/mol
Exact Mass351.93
IUPAC Name4-(3-bromopropyl)-2-ethyl-1-iodobenzene
SMILESCCc1cc(CCCBr)ccc1I
InChIInChI=1S/C11H14BrI/c1-2-10-8-9(4-3-7-12)5-6-11(10)13/h5-6,8H,2-4,7H2,1H3
InChIKeyUNXHCYUYXNYYCY-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.04
LogP ≤ 54.18
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

4-(3-bromopropyl)-1-chloro-2-iodobenzene
CID 118818875
2-(3-bromopropyl)-4-ethyl-1-methylbenzene
CID 118842202
1-(3-bromopropyl)-3-ethyl-5-iodobenzene
CID 118841461
4-(3-bromopropyl)-2-(chloromethyl)-1-methylbenzene
CID 131431431
1,3-bis(3-bromopropyl)benzene;ethane
CID 155596477
1-(3-bromopropyl)-3-propylbenzene
CID 116545899
bromomethane;1-(3-bromopropyl)-2-iodobenzene
CID 123156710
1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene
CID 119024034
4-(3-bromopropyl)-1-(difluoromethyl)-2-methylbenzene
CID 134628649
4-(3,4-diethylphenyl)butan-1-amine
CID 115483378
1-(3-bromopropyl)-3-ethyl-2-fluorobenzene
CID 166641849
4-(3-bromopropyl)-2-chloro-1-methylbenzene
CID 59407652

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopropyl)-2-ethyl-1-iodobenzene?
The IUPAC name of 4-(3-bromopropyl)-2-ethyl-1-iodobenzene (CID 118835842) is 4-(3-bromopropyl)-2-ethyl-1-iodobenzene.
What is the SMILES notation for 4-(3-bromopropyl)-2-ethyl-1-iodobenzene?
The canonical SMILES for 4-(3-bromopropyl)-2-ethyl-1-iodobenzene is CCc1cc(CCCBr)ccc1I.
What is the InChIKey of 4-(3-bromopropyl)-2-ethyl-1-iodobenzene?
The InChIKey is UNXHCYUYXNYYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrI/c1-2-10-8-9(4-3-7-12)5-6-11(10)13/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 4-(3-bromopropyl)-2-ethyl-1-iodobenzene?
4-(3-bromopropyl)-2-ethyl-1-iodobenzene has a molecular weight of 353.04 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopropyl)-2-ethyl-1-iodobenzene is sourced from PubChem (CID 118835842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).