(2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite

C20H25IO3 — CID 166169617

IUPAC(2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite
SMILESCCCc1c(C)c(OCc2ccccc2)c(C)c(C)c1OCOI
InChIInChI=1S/C20H25IO3/c1-5-9-18-16(4)19(22-12-17-10-7-6-8-11-17)14(2)15(3)20(18)23-13-24-21/h6-8,10-11H,5,9,12-13H2,1-4H3
InChIKeyIKDMSZLKSUOYON-UHFFFAOYSA-N
MW440.32 g/mol
LogP5.85
Rot. Bonds8

About (2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite

(2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite (PubChem CID 166169617) has the molecular formula C20H25IO3 and a molecular weight of 440.32 g/mol. Its IUPAC name is (2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite.

Molecular Properties

Compound Name(2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite
PubChem CID166169617
Molecular FormulaC20H25IO3
Molecular Weight440.32 g/mol
Exact Mass440.08
IUPAC Name(2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite
SMILESCCCc1c(C)c(OCc2ccccc2)c(C)c(C)c1OCOI
InChIInChI=1S/C20H25IO3/c1-5-9-18-16(4)19(22-12-17-10-7-6-8-11-17)14(2)15(3)20(18)23-13-24-21/h6-8,10-11H,5,9,12-13H2,1-4H3
InChIKeyIKDMSZLKSUOYON-UHFFFAOYSA-N
XLogP5.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.32
LogP ≤ 55.85
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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Frequently Asked Questions

What is the IUPAC name of (2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite?
The IUPAC name of (2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite (CID 166169617) is (2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite.
What is the SMILES notation for (2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite?
The canonical SMILES for (2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite is CCCc1c(C)c(OCc2ccccc2)c(C)c(C)c1OCOI.
What is the InChIKey of (2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite?
The InChIKey is IKDMSZLKSUOYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25IO3/c1-5-9-18-16(4)19(22-12-17-10-7-6-8-11-17)14(2)15(3)20(18)23-13-24-21/h6-8,10-11H,5,9,12-13H2,1-4H3.
What are the key properties of (2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite?
(2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite has a molecular weight of 440.32 g/mol, XLogP of 5.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite is sourced from PubChem (CID 166169617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).