1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene

C13H19IO3 — CID 89292471

IUPAC1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene
SMILESCOCCOCCOc1ccc(C(C)I)cc1
InChIInChI=1S/C13H19IO3/c1-11(14)12-3-5-13(6-4-12)17-10-9-16-8-7-15-2/h3-6,11H,7-10H2,1-2H3
InChIKeyPAAUVCXUBNLIGQ-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.22
Rot. Bonds8

About 1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene

1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene (PubChem CID 89292471) has the molecular formula C13H19IO3 and a molecular weight of 350.20 g/mol. Its IUPAC name is 1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene
PubChem CID89292471
Molecular FormulaC13H19IO3
Molecular Weight350.20 g/mol
Exact Mass350.04
IUPAC Name1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene
SMILESCOCCOCCOc1ccc(C(C)I)cc1
InChIInChI=1S/C13H19IO3/c1-11(14)12-3-5-13(6-4-12)17-10-9-16-8-7-15-2/h3-6,11H,7-10H2,1-2H3
InChIKeyPAAUVCXUBNLIGQ-UHFFFAOYSA-N
XLogP3.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methanedithiol
CID 59102227
(1R,2R)-1,2-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-N,N'-dimethylethane-1,2-diamine
CID 101191094
(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103402999
1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine
CID 101255138
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride
CID 141339492
2-[4-(2-methoxyethoxy)phenyl]propanoic acid
CID 112512140
1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene
CID 57090148
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
4-[2-(2-methoxyethoxy)ethoxy]benzonitrile
CID 43289507
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzonitrile
CID 177395107
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene?
The IUPAC name of 1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene (CID 89292471) is 1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene.
What is the SMILES notation for 1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene?
The canonical SMILES for 1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene is COCCOCCOc1ccc(C(C)I)cc1.
What is the InChIKey of 1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene?
The InChIKey is PAAUVCXUBNLIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IO3/c1-11(14)12-3-5-13(6-4-12)17-10-9-16-8-7-15-2/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene?
1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene has a molecular weight of 350.20 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene is sourced from PubChem (CID 89292471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).