[(2R,3R)-3-(furan-2-yl)oxiran-2-yl]-phenylmethanone

C13H10O3 — CID 23268375

IUPAC[(2R,3R)-3-(furan-2-yl)oxiran-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1O[C@H]1c1ccco1
InChIInChI=1S/C13H10O3/c14-11(9-5-2-1-3-6-9)13-12(16-13)10-7-4-8-15-10/h1-8,12-13H/t12-,13-/m0/s1
InChIKeySMTAVVSXPUOLIF-STQMWFEESA-N
MW214.22 g/mol
LogP2.60
Rot. Bonds3

About [(2R,3R)-3-(furan-2-yl)oxiran-2-yl]-phenylmethanone

[(2R,3R)-3-(furan-2-yl)oxiran-2-yl]-phenylmethanone (PubChem CID 23268375) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is [(2R,3R)-3-(furan-2-yl)oxiran-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R,3R)-3-(furan-2-yl)oxiran-2-yl]-phenylmethanone
PubChem CID23268375
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name[(2R,3R)-3-(furan-2-yl)oxiran-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1O[C@H]1c1ccco1
InChIInChI=1S/C13H10O3/c14-11(9-5-2-1-3-6-9)13-12(16-13)10-7-4-8-15-10/h1-8,12-13H/t12-,13-/m0/s1
InChIKeySMTAVVSXPUOLIF-STQMWFEESA-N
XLogP2.60
TPSA42.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone
CID 135504692
phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 728561
[3-(furan-2-yl)aziridin-2-yl]-phenylmethanone
CID 101449094
[(2S,3S)-3-(2-bromophenyl)oxiran-2-yl]-phenylmethanone
CID 46245357
[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-phenylmethanone
CID 11483498
[(2S,3R)-3-(4-methylphenyl)oxiran-2-yl]-phenylmethanone
CID 12031052
(2S,3S)-3-benzoyloxirane-2-carboxamide
CID 22806306
[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 765186
[(2S,3R)-3-(3-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 102325705
phenyl-[(2S,3R)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanone
CID 16753146
[(2S,3R)-3-ethyloxiran-2-yl]-phenylmethanone
CID 10866861
[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone
CID 101254811

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-(furan-2-yl)oxiran-2-yl]-phenylmethanone?
The IUPAC name of [(2R,3R)-3-(furan-2-yl)oxiran-2-yl]-phenylmethanone (CID 23268375) is [(2R,3R)-3-(furan-2-yl)oxiran-2-yl]-phenylmethanone.
What is the SMILES notation for [(2R,3R)-3-(furan-2-yl)oxiran-2-yl]-phenylmethanone?
The canonical SMILES for [(2R,3R)-3-(furan-2-yl)oxiran-2-yl]-phenylmethanone is O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccco1.
What is the InChIKey of [(2R,3R)-3-(furan-2-yl)oxiran-2-yl]-phenylmethanone?
The InChIKey is SMTAVVSXPUOLIF-STQMWFEESA-N. The full InChI is InChI=1S/C13H10O3/c14-11(9-5-2-1-3-6-9)13-12(16-13)10-7-4-8-15-10/h1-8,12-13H/t12-,13-/m0/s1.
What are the key properties of [(2R,3R)-3-(furan-2-yl)oxiran-2-yl]-phenylmethanone?
[(2R,3R)-3-(furan-2-yl)oxiran-2-yl]-phenylmethanone has a molecular weight of 214.22 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-(furan-2-yl)oxiran-2-yl]-phenylmethanone is sourced from PubChem (CID 23268375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).