(2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane

C11H13IO2 — CID 58662610

IUPAC(2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane
SMILESCC(OC[C@H]1CO1)c1ccccc1I
InChIInChI=1S/C11H13IO2/c1-8(13-6-9-7-14-9)10-4-2-3-5-11(10)12/h2-5,8-9H,6-7H2,1H3/t8?,9-/m0/s1
InChIKeyOCUIFHLIJPTHGK-GKAPJAKFSA-N
MW304.13 g/mol
LogP2.77
Rot. Bonds4

About (2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane

(2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane (PubChem CID 58662610) has the molecular formula C11H13IO2 and a molecular weight of 304.13 g/mol. Its IUPAC name is (2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane
PubChem CID58662610
Molecular FormulaC11H13IO2
Molecular Weight304.13 g/mol
Exact Mass304.00
IUPAC Name(2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane
SMILESCC(OC[C@H]1CO1)c1ccccc1I
InChIInChI=1S/C11H13IO2/c1-8(13-6-9-7-14-9)10-4-2-3-5-11(10)12/h2-5,8-9H,6-7H2,1H3/t8?,9-/m0/s1
InChIKeyOCUIFHLIJPTHGK-GKAPJAKFSA-N
XLogP2.77
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.77
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

2-[1-(2-methoxyphenyl)ethoxymethyl]oxirane
CID 22382426
(2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane
CID 97180222
(2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane
CID 97180205
2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol
CID 89046389
(2R)-2-[[(1R)-1-(2-bromo-3-chlorophenyl)ethoxy]methyl]oxirane
CID 58572701
(2R)-2-[[(1R)-1-[2-(3,4-dimethylphenyl)phenyl]ethoxy]methyl]oxirane
CID 89232851
(2R)-2-[[(1R)-1-(2-bromo-3-fluoro-4-methylphenyl)ethoxy]methyl]oxirane
CID 58572447
(2R)-2-[[(1R)-1-[2-bromo-3-(difluoromethoxy)phenyl]ethoxy]methyl]oxirane
CID 58572534
ethyl (E)-3-[2-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenyl]prop-2-enoate
CID 58572657
(2S)-2-[[(1R)-1-(4-methylphenyl)ethoxy]methyl]oxirane
CID 97180239
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane
CID 2507807

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane?
The IUPAC name of (2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane (CID 58662610) is (2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane.
What is the SMILES notation for (2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane?
The canonical SMILES for (2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane is CC(OC[C@H]1CO1)c1ccccc1I.
What is the InChIKey of (2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane?
The InChIKey is OCUIFHLIJPTHGK-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H13IO2/c1-8(13-6-9-7-14-9)10-4-2-3-5-11(10)12/h2-5,8-9H,6-7H2,1H3/t8?,9-/m0/s1.
What are the key properties of (2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane?
(2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane has a molecular weight of 304.13 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane is sourced from PubChem (CID 58662610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).