[4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite

C20H15IO4 — CID 118689697

IUPAC[4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite
SMILESCOc1ccc(C(=O)c2ccc(Oc3ccc(OI)cc3)cc2)cc1
InChIInChI=1S/C20H15IO4/c1-23-16-6-2-14(3-7-16)20(22)15-4-8-17(9-5-15)24-18-10-12-19(25-21)13-11-18/h2-13H,1H3
InChIKeyFDZJRKGKXMHSKJ-UHFFFAOYSA-N
MW446.24 g/mol
LogP5.45
Rot. Bonds6

About [4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite

[4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite (PubChem CID 118689697) has the molecular formula C20H15IO4 and a molecular weight of 446.24 g/mol. Its IUPAC name is [4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite.

Molecular Properties

Compound Name[4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite
PubChem CID118689697
Molecular FormulaC20H15IO4
Molecular Weight446.24 g/mol
Exact Mass446.00
IUPAC Name[4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite
SMILESCOc1ccc(C(=O)c2ccc(Oc3ccc(OI)cc3)cc2)cc1
InChIInChI=1S/C20H15IO4/c1-23-16-6-2-14(3-7-16)20(22)15-4-8-17(9-5-15)24-18-10-12-19(25-21)13-11-18/h2-13H,1H3
InChIKeyFDZJRKGKXMHSKJ-UHFFFAOYSA-N
XLogP5.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.24
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 145054271
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
[4-(4-hydroxybenzoyl)phenyl] hypoiodite
CID 142136796
(4-methoxyphenyl)-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenyl]methanone
CID 20789588
[4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 160674185
(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 58399730
ethane;methanesulfonic acid;[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90873259
[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-(4-methylphenoxy)phenyl]methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenyl)phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylphenoxy)benzoyl]phenoxy]benzoyl]phenyl]ethanone;1-[4-[4-[4-[4-(4-methylphenoxy)phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenoxy]phenyl]ethanone
CID 158259629
[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenyl]phenyl]ethanone
CID 158374432

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite?
The IUPAC name of [4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite (CID 118689697) is [4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite.
What is the SMILES notation for [4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite?
The canonical SMILES for [4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite is COc1ccc(C(=O)c2ccc(Oc3ccc(OI)cc3)cc2)cc1.
What is the InChIKey of [4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite?
The InChIKey is FDZJRKGKXMHSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15IO4/c1-23-16-6-2-14(3-7-16)20(22)15-4-8-17(9-5-15)24-18-10-12-19(25-21)13-11-18/h2-13H,1H3.
What are the key properties of [4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite?
[4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite has a molecular weight of 446.24 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite is sourced from PubChem (CID 118689697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).