1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene

C21H25IO4 — CID 2284242

IUPAC1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCCOCCOc2ccc(C)cc2I)c(OC)c1
InChIInChI=1S/C21H25IO4/c1-4-5-17-7-9-20(21(15-17)23-3)26-13-11-24-10-12-25-19-8-6-16(2)14-18(19)22/h4,6-9,14-15H,1,5,10-13H2,2-3H3
InChIKeyBGHSKCXPJUHAGL-UHFFFAOYSA-N
MW468.33 g/mol
LogP4.81
Rot. Bonds11

About 1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene

1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene (PubChem CID 2284242) has the molecular formula C21H25IO4 and a molecular weight of 468.33 g/mol. Its IUPAC name is 1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene
PubChem CID2284242
Molecular FormulaC21H25IO4
Molecular Weight468.33 g/mol
Exact Mass468.08
IUPAC Name1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCCOCCOc2ccc(C)cc2I)c(OC)c1
InChIInChI=1S/C21H25IO4/c1-4-5-17-7-9-20(21(15-17)23-3)26-13-11-24-10-12-25-19-8-6-16(2)14-18(19)22/h4,6-9,14-15H,1,5,10-13H2,2-3H3
InChIKeyBGHSKCXPJUHAGL-UHFFFAOYSA-N
XLogP4.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.33
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169
1-[3-(2-chloro-4-methylphenoxy)propoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2282941
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]-N,N-dimethylethanamine;oxalic acid
CID 2935417
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-1,2,4-triazole
CID 2199939
1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene
CID 67892589
N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine
CID 6460350
2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium
CID 7442982

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene?
The IUPAC name of 1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene (CID 2284242) is 1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene.
What is the SMILES notation for 1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene?
The canonical SMILES for 1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene is C=CCc1ccc(OCCOCCOc2ccc(C)cc2I)c(OC)c1.
What is the InChIKey of 1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene?
The InChIKey is BGHSKCXPJUHAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25IO4/c1-4-5-17-7-9-20(21(15-17)23-3)26-13-11-24-10-12-25-19-8-6-16(2)14-18(19)22/h4,6-9,14-15H,1,5,10-13H2,2-3H3.
What are the key properties of 1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene?
1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene has a molecular weight of 468.33 g/mol, XLogP of 4.81, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene is sourced from PubChem (CID 2284242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).