2-iodoethoxymethylbenzene

C9H11IO — CID 10355314

IUPAC2-iodoethoxymethylbenzene
SMILESICCOCc1ccccc1
InChIInChI=1S/C9H11IO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyNYACRWGQRUIHSO-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.64
Rot. Bonds4

About 2-iodoethoxymethylbenzene

2-iodoethoxymethylbenzene (PubChem CID 10355314) has the molecular formula C9H11IO and a molecular weight of 262.09 g/mol. Its IUPAC name is 2-iodoethoxymethylbenzene.

Molecular Properties

Compound Name2-iodoethoxymethylbenzene
PubChem CID10355314
Molecular FormulaC9H11IO
Molecular Weight262.09 g/mol
Exact Mass261.99
IUPAC Name2-iodoethoxymethylbenzene
SMILESICCOCc1ccccc1
InChIInChI=1S/C9H11IO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyNYACRWGQRUIHSO-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2-iodoethoxymethyl)benzene
CID 139952966
CID 66734377
CID 66734377
1-fluoro-4-phenylmethoxybutan-2-amine
CID 172858311
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
ethane;phenylmethoxymethylbenzene
CID 90943549
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
ethane;2-phenylmethoxyethanamine
CID 142016503
(1S)-1-deuterio-2-phenylmethoxyethanol
CID 136712283
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
4-(2-iodoethoxymethyl)-N-methylaniline
CID 126607172

Frequently Asked Questions

What is the IUPAC name of 2-iodoethoxymethylbenzene?
The IUPAC name of 2-iodoethoxymethylbenzene (CID 10355314) is 2-iodoethoxymethylbenzene.
What is the SMILES notation for 2-iodoethoxymethylbenzene?
The canonical SMILES for 2-iodoethoxymethylbenzene is ICCOCc1ccccc1.
What is the InChIKey of 2-iodoethoxymethylbenzene?
The InChIKey is NYACRWGQRUIHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 2-iodoethoxymethylbenzene?
2-iodoethoxymethylbenzene has a molecular weight of 262.09 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoethoxymethylbenzene is sourced from PubChem (CID 10355314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).