(2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane

C12H16O2 — CID 71403895

IUPAC(2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane
SMILESCO[C@@H]1CO[C@H]1CCc1ccccc1
InChIInChI=1S/C12H16O2/c1-13-12-9-14-11(12)8-7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12+/m0/s1
InChIKeyBPDIIXIPLRZCFJ-NWDGAFQWSA-N
MW192.26 g/mol
LogP2.03
Rot. Bonds4

About (2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane

(2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane (PubChem CID 71403895) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane.

Molecular Properties

Compound Name(2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane
PubChem CID71403895
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane
SMILESCO[C@@H]1CO[C@H]1CCc1ccccc1
InChIInChI=1S/C12H16O2/c1-13-12-9-14-11(12)8-7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12+/m0/s1
InChIKeyBPDIIXIPLRZCFJ-NWDGAFQWSA-N
XLogP2.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane
CID 131860879
ethane;2-(2-phenylethyl)oxirane;propane
CID 90817072
(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 135017778
(2S,3S)-3-methyl-2-(4-phenylbutyl)oxetane
CID 57244338
2-[2-[(2-methoxycyclopropyl)methoxymethyl]cyclopropyl]ethylbenzene
CID 166875667
(4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane
CID 15482722
(1R,4R,5S,8S,9S)-6,8,9-trimethyl-4-(2-phenylethyl)-3-oxabicyclo[3.3.1]non-6-ene
CID 100886361
(1R,4R,5R,8R,9S)-6,8,9-trimethyl-4-(2-phenylethyl)-3-oxabicyclo[3.3.1]non-6-ene
CID 11873039
(2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane
CID 59041484
[(1S,2S)-2-methoxycyclohexyl]-(2-phenylethyl)azanium
CID 6944367
2-(2-phenylethyl)oxetane
CID 13354102
amino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate
CID 91512790

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane?
The IUPAC name of (2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane (CID 71403895) is (2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane.
What is the SMILES notation for (2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane?
The canonical SMILES for (2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane is CO[C@@H]1CO[C@H]1CCc1ccccc1.
What is the InChIKey of (2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane?
The InChIKey is BPDIIXIPLRZCFJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H16O2/c1-13-12-9-14-11(12)8-7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12+/m0/s1.
What are the key properties of (2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane?
(2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane has a molecular weight of 192.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane is sourced from PubChem (CID 71403895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).