(2R)-2-[(2-iodophenoxy)methyl]oxirane

C9H9IO2 — CID 57462593

IUPAC(2R)-2-[(2-iodophenoxy)methyl]oxirane
SMILESIc1ccccc1OC[C@H]1CO1
InChIInChI=1S/C9H9IO2/c10-8-3-1-2-4-9(8)12-6-7-5-11-7/h1-4,7H,5-6H2/t7-/m1/s1
InChIKeyDCTQHUBQXSEMEW-SSDOTTSWSA-N
MW276.07 g/mol
LogP2.07
Rot. Bonds3

About (2R)-2-[(2-iodophenoxy)methyl]oxirane

(2R)-2-[(2-iodophenoxy)methyl]oxirane (PubChem CID 57462593) has the molecular formula C9H9IO2 and a molecular weight of 276.07 g/mol. Its IUPAC name is (2R)-2-[(2-iodophenoxy)methyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(2-iodophenoxy)methyl]oxirane
PubChem CID57462593
Molecular FormulaC9H9IO2
Molecular Weight276.07 g/mol
Exact Mass275.96
IUPAC Name(2R)-2-[(2-iodophenoxy)methyl]oxirane
SMILESIc1ccccc1OC[C@H]1CO1
InChIInChI=1S/C9H9IO2/c10-8-3-1-2-4-9(8)12-6-7-5-11-7/h1-4,7H,5-6H2/t7-/m1/s1
InChIKeyDCTQHUBQXSEMEW-SSDOTTSWSA-N
XLogP2.07
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-(cyclopropylmethoxy)-2-iodobenzene
CID 61400120
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl] formate
CID 165349007
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 22904212
(2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane
CID 2308866
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
CID 13388225
2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane
CID 13171806
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
CID 23044383
1,3,5-tris[2-(oxiran-2-ylmethoxy)phenyl]-1,3,5-triazinane-2,4,6-trione
CID 15745049
2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134322112

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-iodophenoxy)methyl]oxirane?
The IUPAC name of (2R)-2-[(2-iodophenoxy)methyl]oxirane (CID 57462593) is (2R)-2-[(2-iodophenoxy)methyl]oxirane.
What is the SMILES notation for (2R)-2-[(2-iodophenoxy)methyl]oxirane?
The canonical SMILES for (2R)-2-[(2-iodophenoxy)methyl]oxirane is Ic1ccccc1OC[C@H]1CO1.
What is the InChIKey of (2R)-2-[(2-iodophenoxy)methyl]oxirane?
The InChIKey is DCTQHUBQXSEMEW-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9IO2/c10-8-3-1-2-4-9(8)12-6-7-5-11-7/h1-4,7H,5-6H2/t7-/m1/s1.
What are the key properties of (2R)-2-[(2-iodophenoxy)methyl]oxirane?
(2R)-2-[(2-iodophenoxy)methyl]oxirane has a molecular weight of 276.07 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-iodophenoxy)methyl]oxirane is sourced from PubChem (CID 57462593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).