2-tert-butyl-1-ethyl-3-iodobenzene

C12H17I — CID 146636701

IUPAC2-tert-butyl-1-ethyl-3-iodobenzene
SMILESCCc1cccc(I)c1C(C)(C)C
InChIInChI=1S/C12H17I/c1-5-9-7-6-8-10(13)11(9)12(2,3)4/h6-8H,5H2,1-4H3
InChIKeyVMLBZYNXCUPOKR-UHFFFAOYSA-N
MW288.17 g/mol
LogP4.15
Rot. Bonds1

About 2-tert-butyl-1-ethyl-3-iodobenzene

2-tert-butyl-1-ethyl-3-iodobenzene (PubChem CID 146636701) has the molecular formula C12H17I and a molecular weight of 288.17 g/mol. Its IUPAC name is 2-tert-butyl-1-ethyl-3-iodobenzene.

Molecular Properties

Compound Name2-tert-butyl-1-ethyl-3-iodobenzene
PubChem CID146636701
Molecular FormulaC12H17I
Molecular Weight288.17 g/mol
Exact Mass288.04
IUPAC Name2-tert-butyl-1-ethyl-3-iodobenzene
SMILESCCc1cccc(I)c1C(C)(C)C
InChIInChI=1S/C12H17I/c1-5-9-7-6-8-10(13)11(9)12(2,3)4/h6-8H,5H2,1-4H3
InChIKeyVMLBZYNXCUPOKR-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-tert-butyl-3-ethylphenyl)methanol
CID 158088532
2-(2,6-diethylphenyl)propan-2-ol
CID 117283274
1,3-diethyl-2-iodobenzene
CID 18690512
1,3-diethyl-2-(trifluoromethyl)benzene
CID 91552460
2-tert-butyl-1-iodo-3-methoxybenzene
CID 146377094
(2-ethyl-6-iodophenyl)methanediol
CID 156529935
2-tert-butyl-1-chloro-4-ethyl-3-fluorobenzene
CID 138536144
2,3-ditert-butyl-4-ethylphenol
CID 18994457
2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene
CID 146376700
1-chloro-3-ethyl-2-(trifluoromethyl)benzene
CID 71072896
N-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline
CID 114256925
1-ethyl-2-iodobenzene;1-ethyl-4-iodobenzene
CID 159109555

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-ethyl-3-iodobenzene?
The IUPAC name of 2-tert-butyl-1-ethyl-3-iodobenzene (CID 146636701) is 2-tert-butyl-1-ethyl-3-iodobenzene.
What is the SMILES notation for 2-tert-butyl-1-ethyl-3-iodobenzene?
The canonical SMILES for 2-tert-butyl-1-ethyl-3-iodobenzene is CCc1cccc(I)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-ethyl-3-iodobenzene?
The InChIKey is VMLBZYNXCUPOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17I/c1-5-9-7-6-8-10(13)11(9)12(2,3)4/h6-8H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-1-ethyl-3-iodobenzene?
2-tert-butyl-1-ethyl-3-iodobenzene has a molecular weight of 288.17 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-ethyl-3-iodobenzene is sourced from PubChem (CID 146636701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).