2-iodo-1,4-dimethyl-3-prop-2-enylbenzene

C11H13I — CID 129267605

IUPAC2-iodo-1,4-dimethyl-3-prop-2-enylbenzene
SMILESC=CCc1c(C)ccc(C)c1I
InChIInChI=1S/C11H13I/c1-4-5-10-8(2)6-7-9(3)11(10)12/h4,6-7H,1,5H2,2-3H3
InChIKeyAQZSHPYCHMKERH-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.64
Rot. Bonds2

About 2-iodo-1,4-dimethyl-3-prop-2-enylbenzene

2-iodo-1,4-dimethyl-3-prop-2-enylbenzene (PubChem CID 129267605) has the molecular formula C11H13I and a molecular weight of 272.13 g/mol. Its IUPAC name is 2-iodo-1,4-dimethyl-3-prop-2-enylbenzene.

Molecular Properties

Compound Name2-iodo-1,4-dimethyl-3-prop-2-enylbenzene
PubChem CID129267605
Molecular FormulaC11H13I
Molecular Weight272.13 g/mol
Exact Mass272.01
IUPAC Name2-iodo-1,4-dimethyl-3-prop-2-enylbenzene
SMILESC=CCc1c(C)ccc(C)c1I
InChIInChI=1S/C11H13I/c1-4-5-10-8(2)6-7-9(3)11(10)12/h4,6-7H,1,5H2,2-3H3
InChIKeyAQZSHPYCHMKERH-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

azane;1-(chloromethyl)-3,4-dimethyl-2-prop-2-enylbenzene
CID 68825933
5-methyl-4-prop-2-enyl-1H-indole
CID 67962265
2-ethoxy-4-methyl-3-prop-2-enylaniline
CID 20792230
dioxomanganese;3-methyl-2-prop-2-enylphenol
CID 175262810
3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one
CID 174912538
6-methyl-3-(2-methylpropyl)-2-prop-2-enylphenol
CID 19012738
2-butyl-1-methyl-3-prop-2-enylbenzene
CID 173148760
4,5-dimethyl-2-phenyl-3-prop-2-enylphenol
CID 174558136
2-fluoro-1-methyl-4-prop-2-enylbenzene
CID 2759034
methane;1-methyl-2-prop-2-enylbenzene
CID 174365033
1-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene
CID 147152105

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1,4-dimethyl-3-prop-2-enylbenzene?
The IUPAC name of 2-iodo-1,4-dimethyl-3-prop-2-enylbenzene (CID 129267605) is 2-iodo-1,4-dimethyl-3-prop-2-enylbenzene.
What is the SMILES notation for 2-iodo-1,4-dimethyl-3-prop-2-enylbenzene?
The canonical SMILES for 2-iodo-1,4-dimethyl-3-prop-2-enylbenzene is C=CCc1c(C)ccc(C)c1I.
What is the InChIKey of 2-iodo-1,4-dimethyl-3-prop-2-enylbenzene?
The InChIKey is AQZSHPYCHMKERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13I/c1-4-5-10-8(2)6-7-9(3)11(10)12/h4,6-7H,1,5H2,2-3H3.
What are the key properties of 2-iodo-1,4-dimethyl-3-prop-2-enylbenzene?
2-iodo-1,4-dimethyl-3-prop-2-enylbenzene has a molecular weight of 272.13 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1,4-dimethyl-3-prop-2-enylbenzene is sourced from PubChem (CID 129267605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).