1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene

C17H19IO4 — CID 130424971

IUPAC1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene
SMILESCOc1cc(C)cc(-c2cc(I)cc(OC)c2OC)c1OC
InChIInChI=1S/C17H19IO4/c1-10-6-12(16(21-4)14(7-10)19-2)13-8-11(18)9-15(20-3)17(13)22-5/h6-9H,1-5H3
InChIKeyDYFAEJXUMVEKCC-UHFFFAOYSA-N
MW414.24 g/mol
LogP4.30
Rot. Bonds5

About 1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene

1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene (PubChem CID 130424971) has the molecular formula C17H19IO4 and a molecular weight of 414.24 g/mol. Its IUPAC name is 1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene.

Molecular Properties

Compound Name1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene
PubChem CID130424971
Molecular FormulaC17H19IO4
Molecular Weight414.24 g/mol
Exact Mass414.03
IUPAC Name1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene
SMILESCOc1cc(C)cc(-c2cc(I)cc(OC)c2OC)c1OC
InChIInChI=1S/C17H19IO4/c1-10-6-12(16(21-4)14(7-10)19-2)13-8-11(18)9-15(20-3)17(13)22-5/h6-9H,1-5H3
InChIKeyDYFAEJXUMVEKCC-UHFFFAOYSA-N
XLogP4.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.24
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene?
The IUPAC name of 1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene (CID 130424971) is 1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene.
What is the SMILES notation for 1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene?
The canonical SMILES for 1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene is COc1cc(C)cc(-c2cc(I)cc(OC)c2OC)c1OC.
What is the InChIKey of 1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene?
The InChIKey is DYFAEJXUMVEKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IO4/c1-10-6-12(16(21-4)14(7-10)19-2)13-8-11(18)9-15(20-3)17(13)22-5/h6-9H,1-5H3.
What are the key properties of 1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene?
1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene has a molecular weight of 414.24 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene is sourced from PubChem (CID 130424971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).