(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-1,3-diphenylpropan-1-one

C18H18O3 — CID 97012092

IUPAC(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-1,3-diphenylpropan-1-one
SMILESO=C(c1ccccc1)[C@H](Cc1ccccc1)OC[C@H]1CO1
InChIInChI=1S/C18H18O3/c19-18(15-9-5-2-6-10-15)17(21-13-16-12-20-16)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2/t16-,17+/m1/s1
InChIKeyBBJQHTPVRVZKSU-SJORKVTESA-N
MW282.34 g/mol
LogP2.90
Rot. Bonds7

About (2S)-2-[[(2R)-oxiran-2-yl]methoxy]-1,3-diphenylpropan-1-one

(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-1,3-diphenylpropan-1-one (PubChem CID 97012092) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2S)-2-[[(2R)-oxiran-2-yl]methoxy]-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-1,3-diphenylpropan-1-one
PubChem CID97012092
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-1,3-diphenylpropan-1-one
SMILESO=C(c1ccccc1)[C@H](Cc1ccccc1)OC[C@H]1CO1
InChIInChI=1S/C18H18O3/c19-18(15-9-5-2-6-10-15)17(21-13-16-12-20-16)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2/t16-,17+/m1/s1
InChIKeyBBJQHTPVRVZKSU-SJORKVTESA-N
XLogP2.90
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-oxiran-2-yl]methoxy]-1,3-diphenylpropan-1-one?
The IUPAC name of (2S)-2-[[(2R)-oxiran-2-yl]methoxy]-1,3-diphenylpropan-1-one (CID 97012092) is (2S)-2-[[(2R)-oxiran-2-yl]methoxy]-1,3-diphenylpropan-1-one.
What is the SMILES notation for (2S)-2-[[(2R)-oxiran-2-yl]methoxy]-1,3-diphenylpropan-1-one?
The canonical SMILES for (2S)-2-[[(2R)-oxiran-2-yl]methoxy]-1,3-diphenylpropan-1-one is O=C(c1ccccc1)[C@H](Cc1ccccc1)OC[C@H]1CO1.
What is the InChIKey of (2S)-2-[[(2R)-oxiran-2-yl]methoxy]-1,3-diphenylpropan-1-one?
The InChIKey is BBJQHTPVRVZKSU-SJORKVTESA-N. The full InChI is InChI=1S/C18H18O3/c19-18(15-9-5-2-6-10-15)17(21-13-16-12-20-16)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2/t16-,17+/m1/s1.
What are the key properties of (2S)-2-[[(2R)-oxiran-2-yl]methoxy]-1,3-diphenylpropan-1-one?
(2S)-2-[[(2R)-oxiran-2-yl]methoxy]-1,3-diphenylpropan-1-one has a molecular weight of 282.34 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-oxiran-2-yl]methoxy]-1,3-diphenylpropan-1-one is sourced from PubChem (CID 97012092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).