[(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate

C14H18O3 — CID 10944376

IUPAC[(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate
SMILESCC(=O)O[C@]1(C(C)C)CO[C@@H]1c1ccccc1
InChIInChI=1S/C14H18O3/c1-10(2)14(17-11(3)15)9-16-13(14)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3/t13-,14+/m1/s1
InChIKeyQOOYKPAMVPHDDP-KGLIPLIRSA-N
MW234.29 g/mol
LogP2.72
Rot. Bonds3

About [(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate

[(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate (PubChem CID 10944376) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is [(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate
PubChem CID10944376
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name[(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate
SMILESCC(=O)O[C@]1(C(C)C)CO[C@@H]1c1ccccc1
InChIInChI=1S/C14H18O3/c1-10(2)14(17-11(3)15)9-16-13(14)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3/t13-,14+/m1/s1
InChIKeyQOOYKPAMVPHDDP-KGLIPLIRSA-N
XLogP2.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol
CID 100919670
1-(2-acetyl-3-phenyloxiran-2-yl)ethanone
CID 75183920
(1-phenylcyclopropyl) acetate
CID 121216912
(3,6-dimethyl-2,5-diphenyl-2H-1,4-dioxin-3-yl) acetate
CID 575749
[(2R,3R,4R)-3,4-dihydroxy-2-phenyl-2,3-dihydrochromen-4-yl] acetate
CID 171063194
(4-methyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone
CID 19878484
[2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate
CID 154021206
methyl (4R,5R)-5-phenyl-4-propan-2-yl-5H-1,3-oxazole-4-carboxylate
CID 10966829
(1R)-1-[(2S)-3-methyl-2-phenyloxolan-3-yl]-2-phosphanyloxyethanol
CID 160691753
(2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate
CID 58907322
(5-methyl-2-phenyl-1,3-dioxan-5-yl)methyl 2-methylprop-2-enoate
CID 88985259
ethyl 3-propan-2-yloxirane-2-carboxylate;2-methyl-2-propan-2-yloxirane;2-phenyl-3-propan-2-yloxirane;2-propan-2-yloxirane
CID 159317832

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate?
The IUPAC name of [(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate (CID 10944376) is [(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate.
What is the SMILES notation for [(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate?
The canonical SMILES for [(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate is CC(=O)O[C@]1(C(C)C)CO[C@@H]1c1ccccc1.
What is the InChIKey of [(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate?
The InChIKey is QOOYKPAMVPHDDP-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H18O3/c1-10(2)14(17-11(3)15)9-16-13(14)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of [(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate?
[(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate has a molecular weight of 234.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-phenyl-3-propan-2-yloxetan-3-yl] acetate is sourced from PubChem (CID 10944376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).