1-(4-chlorophenoxy)-2-iodo-3-methoxybenzene

C13H10ClIO2 — CID 166611395

IUPAC1-(4-chlorophenoxy)-2-iodo-3-methoxybenzene
SMILESCOc1cccc(Oc2ccc(Cl)cc2)c1I
InChIInChI=1S/C13H10ClIO2/c1-16-11-3-2-4-12(13(11)15)17-10-7-5-9(14)6-8-10/h2-8H,1H3
InChIKeyVAZFXAZQVWIESE-UHFFFAOYSA-N
MW360.58 g/mol
LogP4.75
Rot. Bonds3

About 1-(4-chlorophenoxy)-2-iodo-3-methoxybenzene

1-(4-chlorophenoxy)-2-iodo-3-methoxybenzene (PubChem CID 166611395) has the molecular formula C13H10ClIO2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-2-iodo-3-methoxybenzene.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-2-iodo-3-methoxybenzene
PubChem CID166611395
Molecular FormulaC13H10ClIO2
Molecular Weight360.58 g/mol
Exact Mass359.94
IUPAC Name1-(4-chlorophenoxy)-2-iodo-3-methoxybenzene
SMILESCOc1cccc(Oc2ccc(Cl)cc2)c1I
InChIInChI=1S/C13H10ClIO2/c1-16-11-3-2-4-12(13(11)15)17-10-7-5-9(14)6-8-10/h2-8H,1H3
InChIKeyVAZFXAZQVWIESE-UHFFFAOYSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.58
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-chlorophenoxy)-2-iodo-3-methoxybenzene?
The IUPAC name of 1-(4-chlorophenoxy)-2-iodo-3-methoxybenzene (CID 166611395) is 1-(4-chlorophenoxy)-2-iodo-3-methoxybenzene.
What is the SMILES notation for 1-(4-chlorophenoxy)-2-iodo-3-methoxybenzene?
The canonical SMILES for 1-(4-chlorophenoxy)-2-iodo-3-methoxybenzene is COc1cccc(Oc2ccc(Cl)cc2)c1I.
What is the InChIKey of 1-(4-chlorophenoxy)-2-iodo-3-methoxybenzene?
The InChIKey is VAZFXAZQVWIESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIO2/c1-16-11-3-2-4-12(13(11)15)17-10-7-5-9(14)6-8-10/h2-8H,1H3.
What are the key properties of 1-(4-chlorophenoxy)-2-iodo-3-methoxybenzene?
1-(4-chlorophenoxy)-2-iodo-3-methoxybenzene has a molecular weight of 360.58 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-2-iodo-3-methoxybenzene is sourced from PubChem (CID 166611395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).