2-(2-iodophenyl)-2-phenyloxirane

C14H11IO — CID 10870963

IUPAC2-(2-iodophenyl)-2-phenyloxirane
SMILESIc1ccccc1C1(c2ccccc2)CO1
InChIInChI=1S/C14H11IO/c15-13-9-5-4-8-12(13)14(10-16-14)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyPOOXTKMKSSYEEC-UHFFFAOYSA-N
MW322.14 g/mol
LogP3.57
Rot. Bonds2

About 2-(2-iodophenyl)-2-phenyloxirane

2-(2-iodophenyl)-2-phenyloxirane (PubChem CID 10870963) has the molecular formula C14H11IO and a molecular weight of 322.14 g/mol. Its IUPAC name is 2-(2-iodophenyl)-2-phenyloxirane.

Molecular Properties

Compound Name2-(2-iodophenyl)-2-phenyloxirane
PubChem CID10870963
Molecular FormulaC14H11IO
Molecular Weight322.14 g/mol
Exact Mass321.99
IUPAC Name2-(2-iodophenyl)-2-phenyloxirane
SMILESIc1ccccc1C1(c2ccccc2)CO1
InChIInChI=1S/C14H11IO/c15-13-9-5-4-8-12(13)14(10-16-14)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyPOOXTKMKSSYEEC-UHFFFAOYSA-N
XLogP3.57
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-iodophenyl)-2-methyl-1,3-dioxolane
CID 5028728
(2S)-2-methyl-2-phenyloxirane
CID 11629614
1-(2-iodophenyl)cyclobutane-1-carboxylic acid
CID 86712326
3,3-diphenyl-1H-2-benzofuran
CID 571068
trimethyl-[(2S)-2-phenyloxiran-2-yl]silane
CID 135037115
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
1-(2-iodophenyl)cyclohexan-1-ol
CID 91620126
13-methyl-13-phenyl-2,4,9,11-tetraoxadispiro[5.0.57.16]tridecane
CID 102474294
2-(2-chlorophenyl)-2-phenyloxolane
CID 23016058
11,11-dimethyl-1,8-diphenyl-9,10-dioxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 12742317
CID 129410819
CID 129410819
CID 14338055
CID 14338055

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenyl)-2-phenyloxirane?
The IUPAC name of 2-(2-iodophenyl)-2-phenyloxirane (CID 10870963) is 2-(2-iodophenyl)-2-phenyloxirane.
What is the SMILES notation for 2-(2-iodophenyl)-2-phenyloxirane?
The canonical SMILES for 2-(2-iodophenyl)-2-phenyloxirane is Ic1ccccc1C1(c2ccccc2)CO1.
What is the InChIKey of 2-(2-iodophenyl)-2-phenyloxirane?
The InChIKey is POOXTKMKSSYEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IO/c15-13-9-5-4-8-12(13)14(10-16-14)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-(2-iodophenyl)-2-phenyloxirane?
2-(2-iodophenyl)-2-phenyloxirane has a molecular weight of 322.14 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)-2-phenyloxirane is sourced from PubChem (CID 10870963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).