1-(2,2-dimethoxyethoxy)-2-iodobenzene

C10H13IO3 — CID 66221266

IUPAC1-(2,2-dimethoxyethoxy)-2-iodobenzene
SMILESCOC(COc1ccccc1I)OC
InChIInChI=1S/C10H13IO3/c1-12-10(13-2)7-14-9-6-4-3-5-8(9)11/h3-6,10H,7H2,1-2H3
InChIKeyJTFVJQSXIGZBGW-UHFFFAOYSA-N
MW308.12 g/mol
LogP2.29
Rot. Bonds5

About 1-(2,2-dimethoxyethoxy)-2-iodobenzene

1-(2,2-dimethoxyethoxy)-2-iodobenzene (PubChem CID 66221266) has the molecular formula C10H13IO3 and a molecular weight of 308.12 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethoxy)-2-iodobenzene.

Molecular Properties

Compound Name1-(2,2-dimethoxyethoxy)-2-iodobenzene
PubChem CID66221266
Molecular FormulaC10H13IO3
Molecular Weight308.12 g/mol
Exact Mass307.99
IUPAC Name1-(2,2-dimethoxyethoxy)-2-iodobenzene
SMILESCOC(COc1ccccc1I)OC
InChIInChI=1S/C10H13IO3/c1-12-10(13-2)7-14-9-6-4-3-5-8(9)11/h3-6,10H,7H2,1-2H3
InChIKeyJTFVJQSXIGZBGW-UHFFFAOYSA-N
XLogP2.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-diethoxyethoxy)-2-iodobenzene
CID 63630107
1-(2-chloropropoxy)-2-iodobenzene
CID 135222476
1-(2,2-dimethoxyethoxy)-2-ethylbenzene
CID 66223177
1-(2,2-dimethoxyethoxy)-2,3-dimethylbenzene
CID 4198790
1-bromo-3-(2-iodophenoxy)propan-2-ol
CID 112560670
1-(2-ethylhexoxy)-2-iodobenzene
CID 63531465
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol
CID 62268837
1-iodo-2-[(2-methoxyphenyl)methoxy]benzene
CID 54942072
2-acetamido-3-(2-iodophenoxy)propanoic acid
CID 65443376
1-iodo-2-(3-methyl-2-methylidenebutoxy)benzene
CID 166446723
1-(3-chloropropoxy)-2-iodobenzene
CID 43479699

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethoxy)-2-iodobenzene?
The IUPAC name of 1-(2,2-dimethoxyethoxy)-2-iodobenzene (CID 66221266) is 1-(2,2-dimethoxyethoxy)-2-iodobenzene.
What is the SMILES notation for 1-(2,2-dimethoxyethoxy)-2-iodobenzene?
The canonical SMILES for 1-(2,2-dimethoxyethoxy)-2-iodobenzene is COC(COc1ccccc1I)OC.
What is the InChIKey of 1-(2,2-dimethoxyethoxy)-2-iodobenzene?
The InChIKey is JTFVJQSXIGZBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO3/c1-12-10(13-2)7-14-9-6-4-3-5-8(9)11/h3-6,10H,7H2,1-2H3.
What are the key properties of 1-(2,2-dimethoxyethoxy)-2-iodobenzene?
1-(2,2-dimethoxyethoxy)-2-iodobenzene has a molecular weight of 308.12 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethoxy)-2-iodobenzene is sourced from PubChem (CID 66221266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).