1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one

C17H16O2 — CID 13215527

IUPAC1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one
SMILESO=C(CC[C@H]1O[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c18-15(13-7-3-1-4-8-13)11-12-16-17(19-16)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2/t16-,17-/m1/s1
InChIKeyPMHZNEUYTUDKHW-IAGOWNOFSA-N
MW252.31 g/mol
LogP3.79
Rot. Bonds5

About 1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one

1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one (PubChem CID 13215527) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one
PubChem CID13215527
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one
SMILESO=C(CC[C@H]1O[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c18-15(13-7-3-1-4-8-13)11-12-16-17(19-16)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2/t16-,17-/m1/s1
InChIKeyPMHZNEUYTUDKHW-IAGOWNOFSA-N
XLogP3.79
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]propan-1-one
CID 11184316
N-ethyl-4-[3-(3-phenyloxiran-2-yl)propanoyl]benzamide
CID 163689243
3-(3-tert-butyloxiran-2-yl)-1-phenylpropan-1-one
CID 86227481
2-[(2R,3S)-3-phenyloxiran-2-yl]acetic acid
CID 135891060
3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one
CID 2758705
ethane;2-(3-phenyloxiran-2-yl)ethanol
CID 143522200
2-(3-phenyloxiran-2-yl)acetamide
CID 130019466
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
ethyl 9-[(2R,3R)-3-phenyloxiran-2-yl]nonanoate
CID 10590631
2-(3-bromopropyl)-3-phenyloxirane
CID 134870798
2-(3-oxo-3-phenylpropyl)cyclopentane-1,3-dione
CID 101408905

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one?
The IUPAC name of 1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one (CID 13215527) is 1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one.
What is the SMILES notation for 1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one?
The canonical SMILES for 1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one is O=C(CC[C@H]1O[C@@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one?
The InChIKey is PMHZNEUYTUDKHW-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H16O2/c18-15(13-7-3-1-4-8-13)11-12-16-17(19-16)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2/t16-,17-/m1/s1.
What are the key properties of 1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one?
1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one has a molecular weight of 252.31 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one is sourced from PubChem (CID 13215527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).