2-(2-iodophenyl)-3-phenyloxirane

C14H11IO — CID 12728141

IUPAC2-(2-iodophenyl)-3-phenyloxirane
SMILESIc1ccccc1C1OC1c1ccccc1
InChIInChI=1S/C14H11IO/c15-12-9-5-4-8-11(12)14-13(16-14)10-6-2-1-3-7-10/h1-9,13-14H
InChIKeyBKVICTCPHHVHGS-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.10
Rot. Bonds2

About 2-(2-iodophenyl)-3-phenyloxirane

2-(2-iodophenyl)-3-phenyloxirane (PubChem CID 12728141) has the molecular formula C14H11IO and a molecular weight of 322.15 g/mol. Its IUPAC name is 2-(2-iodophenyl)-3-phenyloxirane.

Molecular Properties

Compound Name2-(2-iodophenyl)-3-phenyloxirane
PubChem CID12728141
Molecular FormulaC14H11IO
Molecular Weight322.15 g/mol
Exact Mass321.99
IUPAC Name2-(2-iodophenyl)-3-phenyloxirane
SMILESIc1ccccc1C1OC1c1ccccc1
InChIInChI=1S/C14H11IO/c15-12-9-5-4-8-11(12)14-13(16-14)10-6-2-1-3-7-10/h1-9,13-14H
InChIKeyBKVICTCPHHVHGS-UHFFFAOYSA-N
XLogP4.10
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.10
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

2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
[(4S,5S)-5-(2-iodophenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 90026456
2-(2-ethynylphenyl)-3-phenyloxirane
CID 72775430
8-oxatricyclo[4.3.0.07,9]nona-1,3,5-triene
CID 87081194
(4S,5R,6R)-4-(2-iodophenyl)-5-methyl-6-phenyl-1,3-oxazinan-2-one
CID 139125471
(2R,3S,4S,5R)-2,3,4,5-tetraphenyloxolane
CID 102288914
2-(4-methylphenyl)-3-phenyloxirane
CID 602487
2-(2,4-dichlorophenyl)-3-phenyloxirane
CID 86087520
(2R,3R)-2,3-bis(4-phenylphenyl)oxirane
CID 15400082
(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane
CID 134931681
(1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene
CID 138977577
3-(2-iodophenyl)oxetane
CID 73425043

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenyl)-3-phenyloxirane?
The IUPAC name of 2-(2-iodophenyl)-3-phenyloxirane (CID 12728141) is 2-(2-iodophenyl)-3-phenyloxirane.
What is the SMILES notation for 2-(2-iodophenyl)-3-phenyloxirane?
The canonical SMILES for 2-(2-iodophenyl)-3-phenyloxirane is Ic1ccccc1C1OC1c1ccccc1.
What is the InChIKey of 2-(2-iodophenyl)-3-phenyloxirane?
The InChIKey is BKVICTCPHHVHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IO/c15-12-9-5-4-8-11(12)14-13(16-14)10-6-2-1-3-7-10/h1-9,13-14H.
What are the key properties of 2-(2-iodophenyl)-3-phenyloxirane?
2-(2-iodophenyl)-3-phenyloxirane has a molecular weight of 322.15 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)-3-phenyloxirane is sourced from PubChem (CID 12728141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).