2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene

C13H19IO2 — CID 146376700

IUPAC2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene
SMILESCOCCOc1cccc(I)c1C(C)(C)C
InChIInChI=1S/C13H19IO2/c1-13(2,3)12-10(14)6-5-7-11(12)16-9-8-15-4/h5-7H,8-9H2,1-4H3
InChIKeyRIYVLYZFYCRCIS-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.61
Rot. Bonds4

About 2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene

2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene (PubChem CID 146376700) has the molecular formula C13H19IO2 and a molecular weight of 334.20 g/mol. Its IUPAC name is 2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene
PubChem CID146376700
Molecular FormulaC13H19IO2
Molecular Weight334.20 g/mol
Exact Mass334.04
IUPAC Name2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene
SMILESCOCCOc1cccc(I)c1C(C)(C)C
InChIInChI=1S/C13H19IO2/c1-13(2,3)12-10(14)6-5-7-11(12)16-9-8-15-4/h5-7H,8-9H2,1-4H3
InChIKeyRIYVLYZFYCRCIS-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene
CID 146377328
2-tert-butyl-1-iodo-3-methoxybenzene
CID 146377094
1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104567723
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
1,4-diiodo-2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 67250875
1-iodo-2-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzene
CID 119050908
2-bromo-1-chloro-3-(2-methoxyethoxy)benzene
CID 156587191
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
bis[2-(2-methoxyethoxy)phenyl]iodanium
CID 139829734
4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39455772
[3-(2-methoxyethoxy)-2-methylphenyl]boronic acid
CID 131700786
2-(2-methoxyethoxy)benzenesulfonyl chloride
CID 75466193

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene?
The IUPAC name of 2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene (CID 146376700) is 2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene.
What is the SMILES notation for 2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene?
The canonical SMILES for 2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene is COCCOc1cccc(I)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene?
The InChIKey is RIYVLYZFYCRCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IO2/c1-13(2,3)12-10(14)6-5-7-11(12)16-9-8-15-4/h5-7H,8-9H2,1-4H3.
What are the key properties of 2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene?
2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene has a molecular weight of 334.20 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-iodo-3-(2-methoxyethoxy)benzene is sourced from PubChem (CID 146376700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).