[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone

C10H10O3 — CID 101254811

IUPAC[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1O[C@H]1CO
InChIInChI=1S/C10H10O3/c11-6-8-10(13-8)9(12)7-4-2-1-3-5-7/h1-5,8,10-11H,6H2/t8-,10-/m0/s1
InChIKeyVQVFZYUNMUDVBV-WPRPVWTQSA-N
MW178.19 g/mol
LogP0.63
Rot. Bonds3

About [(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone

[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone (PubChem CID 101254811) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is [(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone
PubChem CID101254811
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1O[C@H]1CO
InChIInChI=1S/C10H10O3/c11-6-8-10(13-8)9(12)7-4-2-1-3-5-7/h1-5,8,10-11H,6H2/t8-,10-/m0/s1
InChIKeyVQVFZYUNMUDVBV-WPRPVWTQSA-N
XLogP0.63
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.63
H-Bond Donors ≤ 51
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-ethyloxiran-2-yl]-phenylmethanone
CID 10866861
phenyl-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methanone
CID 146166302
phenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone
CID 11021385
[(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
(2S,3S)-3-benzoyloxirane-2-carboxamide
CID 22806306
[(3S,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] benzoate
CID 175960812
phenyl-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]methanone
CID 131845340
[(2R,3R)-3-(furan-2-yl)oxiran-2-yl]-phenylmethanone
CID 23268375
[(2R,3S,4S,5R,6R)-5-benzoyloxy-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] benzoate
CID 150845451
[(2S,3S,4S,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-3-yl]-phenylmethanone
CID 89090282
[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-phenylmethanone
CID 11483498

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone?
The IUPAC name of [(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone (CID 101254811) is [(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone.
What is the SMILES notation for [(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone?
The canonical SMILES for [(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone is O=C(c1ccccc1)[C@H]1O[C@H]1CO.
What is the InChIKey of [(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone?
The InChIKey is VQVFZYUNMUDVBV-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H10O3/c11-6-8-10(13-8)9(12)7-4-2-1-3-5-7/h1-5,8,10-11H,6H2/t8-,10-/m0/s1.
What are the key properties of [(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone?
[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone has a molecular weight of 178.19 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone is sourced from PubChem (CID 101254811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).