phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone

C15H12O2 — CID 728561

IUPACphenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
SMILESO=C(c1ccccc1)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C15H12O2/c16-13(11-7-3-1-4-8-11)15-14(17-15)12-9-5-2-6-10-12/h1-10,14-15H/t14-,15-/m1/s1
InChIKeyUQGMJZQVDNZRKT-HUUCEWRRSA-N
MW224.26 g/mol
LogP3.01
Rot. Bonds3

About phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone

phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone (PubChem CID 728561) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
PubChem CID728561
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Namephenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
SMILESO=C(c1ccccc1)[C@H]1O[C@@H]1c1ccccc1
InChIInChI=1S/C15H12O2/c16-13(11-7-3-1-4-8-11)15-14(17-15)12-9-5-2-6-10-12/h1-10,14-15H/t14-,15-/m1/s1
InChIKeyUQGMJZQVDNZRKT-HUUCEWRRSA-N
XLogP3.01
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.01
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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Frequently Asked Questions

What is the IUPAC name of phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone?
The IUPAC name of phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone (CID 728561) is phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone.
What is the SMILES notation for phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone?
The canonical SMILES for phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone is O=C(c1ccccc1)[C@H]1O[C@@H]1c1ccccc1.
What is the InChIKey of phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone?
The InChIKey is UQGMJZQVDNZRKT-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H12O2/c16-13(11-7-3-1-4-8-11)15-14(17-15)12-9-5-2-6-10-12/h1-10,14-15H/t14-,15-/m1/s1.
What are the key properties of phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone?
phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone has a molecular weight of 224.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone is sourced from PubChem (CID 728561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).