[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite

C17H17IO3 — CID 143790931

IUPAC[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite
SMILESCC(C)(O)C(=O)c1ccc(C(OI)c2ccccc2)cc1
InChIInChI=1S/C17H17IO3/c1-17(2,20)16(19)14-10-8-13(9-11-14)15(21-18)12-6-4-3-5-7-12/h3-11,15,20H,1-2H3
InChIKeyDAYSGNKCNWNBCW-UHFFFAOYSA-N
MW396.22 g/mol
LogP4.10
Rot. Bonds5

About [[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite

[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite (PubChem CID 143790931) has the molecular formula C17H17IO3 and a molecular weight of 396.22 g/mol. Its IUPAC name is [[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite.

Molecular Properties

Compound Name[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite
PubChem CID143790931
Molecular FormulaC17H17IO3
Molecular Weight396.22 g/mol
Exact Mass396.02
IUPAC Name[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite
SMILESCC(C)(O)C(=O)c1ccc(C(OI)c2ccccc2)cc1
InChIInChI=1S/C17H17IO3/c1-17(2,20)16(19)14-10-8-13(9-11-14)15(21-18)12-6-4-3-5-7-12/h3-11,15,20H,1-2H3
InChIKeyDAYSGNKCNWNBCW-UHFFFAOYSA-N
XLogP4.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.22
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one
CID 68740587
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
1-[4-[2-[2-[2-[2-[2-[2-[2-[bis[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 87667241
1-[4-[2-[2-[2-[2-[bis[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 69040394
1-[4-[2-[2-[2-[2-[2-[2-[2-[2-[bis[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 87666836
2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-triethylsilyloxymethyl]phenyl]-2-methylpropan-1-one
CID 69038350
2-hydroxy-1-[4-[1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]propyl]phenyl]-2-methylpropan-1-one
CID 173118235
2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one
CID 66718665
1-[4-[2-[bis[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]propoxy-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 69039598
2-hydroxy-1-[4-[6-hydroxyhexoxy-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
CID 69038874
1-[4-[(3-amino-2-hydroxypropoxy)-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 143790925
2-hydroxy-1-[4-[hydroxy-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one;propane
CID 142964351

Frequently Asked Questions

What is the IUPAC name of [[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite?
The IUPAC name of [[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite (CID 143790931) is [[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite.
What is the SMILES notation for [[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite?
The canonical SMILES for [[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite is CC(C)(O)C(=O)c1ccc(C(OI)c2ccccc2)cc1.
What is the InChIKey of [[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite?
The InChIKey is DAYSGNKCNWNBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IO3/c1-17(2,20)16(19)14-10-8-13(9-11-14)15(21-18)12-6-4-3-5-7-12/h3-11,15,20H,1-2H3.
What are the key properties of [[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite?
[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite has a molecular weight of 396.22 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite is sourced from PubChem (CID 143790931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).