2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene

C14H21I — CID 155328338

IUPAC2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(C(C)C)c1CCI
InChIInChI=1S/C14H21I/c1-10(2)12-6-5-7-13(11(3)4)14(12)8-9-15/h5-7,10-11H,8-9H2,1-4H3
InChIKeyPIQHNKWCGGQYKL-UHFFFAOYSA-N
MW316.23 g/mol
LogP4.91
Rot. Bonds4

About 2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene

2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene (PubChem CID 155328338) has the molecular formula C14H21I and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene
PubChem CID155328338
Molecular FormulaC14H21I
Molecular Weight316.23 g/mol
Exact Mass316.07
IUPAC Name2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(C(C)C)c1CCI
InChIInChI=1S/C14H21I/c1-10(2)12-6-5-7-13(11(3)4)14(12)8-9-15/h5-7,10-11H,8-9H2,1-4H3
InChIKeyPIQHNKWCGGQYKL-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.91
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-[2,6-di(propan-2-yl)phenyl]butan-2-amine
CID 174789364
2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene
CID 71264347
1-methyl-2-pentyl-3-propan-2-ylbenzene
CID 173336481
2-butyl-1-propan-2-yl-3-propylbenzene
CID 173336292
(3-propan-2-yl-2-propylphenyl) thiohypofluorite
CID 129070029
2-(2-cyclohex-3-en-1-ylethyl)-1,3-di(propan-2-yl)benzene
CID 169110897
2-[2,6-di(propan-2-yl)phenyl]acetyl chloride
CID 19362782
[2,6-di(propan-2-yl)phenyl]methoxymethanol
CID 143066004
1-fluoro-2-pentyl-3-propan-2-ylbenzene
CID 173336304
1-chloro-2-pentyl-3-propan-2-ylbenzene
CID 173336336
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1-iodopropane
CID 159145853
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene?
The IUPAC name of 2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene (CID 155328338) is 2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene.
What is the SMILES notation for 2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene?
The canonical SMILES for 2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene is CC(C)c1cccc(C(C)C)c1CCI.
What is the InChIKey of 2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene?
The InChIKey is PIQHNKWCGGQYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21I/c1-10(2)12-6-5-7-13(11(3)4)14(12)8-9-15/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of 2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene?
2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene has a molecular weight of 316.23 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene is sourced from PubChem (CID 155328338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).