1-chloro-2-(1-iodopentyl)benzene

C11H14ClI — CID 126727216

IUPAC1-chloro-2-(1-iodopentyl)benzene
SMILESCCCCC(I)c1ccccc1Cl
InChIInChI=1S/C11H14ClI/c1-2-3-8-11(13)9-6-4-5-7-10(9)12/h4-7,11H,2-3,8H2,1H3
InChIKeyRKJQJTKNQWEWRJ-UHFFFAOYSA-N
MW308.59 g/mol
LogP5.01
Rot. Bonds4

About 1-chloro-2-(1-iodopentyl)benzene

1-chloro-2-(1-iodopentyl)benzene (PubChem CID 126727216) has the molecular formula C11H14ClI and a molecular weight of 308.59 g/mol. Its IUPAC name is 1-chloro-2-(1-iodopentyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(1-iodopentyl)benzene
PubChem CID126727216
Molecular FormulaC11H14ClI
Molecular Weight308.59 g/mol
Exact Mass307.98
IUPAC Name1-chloro-2-(1-iodopentyl)benzene
SMILESCCCCC(I)c1ccccc1Cl
InChIInChI=1S/C11H14ClI/c1-2-3-8-11(13)9-6-4-5-7-10(9)12/h4-7,11H,2-3,8H2,1H3
InChIKeyRKJQJTKNQWEWRJ-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 55.01
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-(2-chlorophenyl)hexan-1-ol
CID 62606389
1-(2-chlorophenyl)butane-1-thiol
CID 57287441
2-(1-iodooctyl)benzenethiol
CID 88546146
1-(2-chlorophenyl)-2-ethylhexan-1-amine
CID 115800977
(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
CID 171204538
1-chloro-2-(1-chlorobutyl)benzene
CID 18417584
ethyl 2-(2-chlorophenyl)hexanoate
CID 142202893
1-(2-chlorophenyl)pentyl acetate
CID 141200843
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
2-(2-chlorophenyl)nonan-1-amine
CID 79448666
(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol
CID 137375646
tributyl-[(2-chlorophenyl)methyl]phosphanium chloride
CID 21388934

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1-iodopentyl)benzene?
The IUPAC name of 1-chloro-2-(1-iodopentyl)benzene (CID 126727216) is 1-chloro-2-(1-iodopentyl)benzene.
What is the SMILES notation for 1-chloro-2-(1-iodopentyl)benzene?
The canonical SMILES for 1-chloro-2-(1-iodopentyl)benzene is CCCCC(I)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(1-iodopentyl)benzene?
The InChIKey is RKJQJTKNQWEWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClI/c1-2-3-8-11(13)9-6-4-5-7-10(9)12/h4-7,11H,2-3,8H2,1H3.
What are the key properties of 1-chloro-2-(1-iodopentyl)benzene?
1-chloro-2-(1-iodopentyl)benzene has a molecular weight of 308.59 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1-iodopentyl)benzene is sourced from PubChem (CID 126727216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).