1-(2-ethylhexoxy)-2-iodobenzene

C14H21IO — CID 63531465

IUPAC1-(2-ethylhexoxy)-2-iodobenzene
SMILESCCCCC(CC)COc1ccccc1I
InChIInChI=1S/C14H21IO/c1-3-5-8-12(4-2)11-16-14-10-7-6-9-13(14)15/h6-7,9-10,12H,3-5,8,11H2,1-2H3
InChIKeyXRPXDLJGDMUONW-UHFFFAOYSA-N
MW332.22 g/mol
LogP4.89
Rot. Bonds7

About 1-(2-ethylhexoxy)-2-iodobenzene

1-(2-ethylhexoxy)-2-iodobenzene (PubChem CID 63531465) has the molecular formula C14H21IO and a molecular weight of 332.22 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)-2-iodobenzene.

Molecular Properties

Compound Name1-(2-ethylhexoxy)-2-iodobenzene
PubChem CID63531465
Molecular FormulaC14H21IO
Molecular Weight332.22 g/mol
Exact Mass332.06
IUPAC Name1-(2-ethylhexoxy)-2-iodobenzene
SMILESCCCCC(CC)COc1ccccc1I
InChIInChI=1S/C14H21IO/c1-3-5-8-12(4-2)11-16-14-10-7-6-9-13(14)15/h6-7,9-10,12H,3-5,8,11H2,1-2H3
InChIKeyXRPXDLJGDMUONW-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine
CID 78944050
1-(2-ethylhexoxy)-2-[2-(2-ethylhexoxy)-6-methylphenyl]-3-methylbenzene
CID 21028375
CID 174954511
CID 174954511
CID 151703747
CID 151703747
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene
CID 172726737
1-heptoxy-2-iodobenzene
CID 63530624
1-(2-ethylhexoxy)-2-(sulfinoamino)benzene
CID 57122147
1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene
CID 86054724
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
1-(bromomethyl)-3-ethoxy-2-(2-ethylhexoxy)benzene
CID 63536030

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)-2-iodobenzene?
The IUPAC name of 1-(2-ethylhexoxy)-2-iodobenzene (CID 63531465) is 1-(2-ethylhexoxy)-2-iodobenzene.
What is the SMILES notation for 1-(2-ethylhexoxy)-2-iodobenzene?
The canonical SMILES for 1-(2-ethylhexoxy)-2-iodobenzene is CCCCC(CC)COc1ccccc1I.
What is the InChIKey of 1-(2-ethylhexoxy)-2-iodobenzene?
The InChIKey is XRPXDLJGDMUONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IO/c1-3-5-8-12(4-2)11-16-14-10-7-6-9-13(14)15/h6-7,9-10,12H,3-5,8,11H2,1-2H3.
What are the key properties of 1-(2-ethylhexoxy)-2-iodobenzene?
1-(2-ethylhexoxy)-2-iodobenzene has a molecular weight of 332.22 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)-2-iodobenzene is sourced from PubChem (CID 63531465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).