phenyl-[(2R,3S)-3-(4-phenylphenyl)oxiran-2-yl]methanone

C21H16O2 — CID 6604737

IUPACphenyl-[(2R,3S)-3-(4-phenylphenyl)oxiran-2-yl]methanone
SMILESO=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H16O2/c22-19(17-9-5-2-6-10-17)21-20(23-21)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,20-21H/t20-,21-/m0/s1
InChIKeyWCVMKDUZFGWJAF-SFTDATJTSA-N
MW300.36 g/mol
LogP4.68
Rot. Bonds4

About phenyl-[(2R,3S)-3-(4-phenylphenyl)oxiran-2-yl]methanone

phenyl-[(2R,3S)-3-(4-phenylphenyl)oxiran-2-yl]methanone (PubChem CID 6604737) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is phenyl-[(2R,3S)-3-(4-phenylphenyl)oxiran-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[(2R,3S)-3-(4-phenylphenyl)oxiran-2-yl]methanone
PubChem CID6604737
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Namephenyl-[(2R,3S)-3-(4-phenylphenyl)oxiran-2-yl]methanone
SMILESO=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H16O2/c22-19(17-9-5-2-6-10-17)21-20(23-21)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,20-21H/t20-,21-/m0/s1
InChIKeyWCVMKDUZFGWJAF-SFTDATJTSA-N
XLogP4.68
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.68
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-[(2R,3S)-3-(4-phenylphenyl)oxiran-2-yl]methanone?
The IUPAC name of phenyl-[(2R,3S)-3-(4-phenylphenyl)oxiran-2-yl]methanone (CID 6604737) is phenyl-[(2R,3S)-3-(4-phenylphenyl)oxiran-2-yl]methanone.
What is the SMILES notation for phenyl-[(2R,3S)-3-(4-phenylphenyl)oxiran-2-yl]methanone?
The canonical SMILES for phenyl-[(2R,3S)-3-(4-phenylphenyl)oxiran-2-yl]methanone is O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of phenyl-[(2R,3S)-3-(4-phenylphenyl)oxiran-2-yl]methanone?
The InChIKey is WCVMKDUZFGWJAF-SFTDATJTSA-N. The full InChI is InChI=1S/C21H16O2/c22-19(17-9-5-2-6-10-17)21-20(23-21)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,20-21H/t20-,21-/m0/s1.
What are the key properties of phenyl-[(2R,3S)-3-(4-phenylphenyl)oxiran-2-yl]methanone?
phenyl-[(2R,3S)-3-(4-phenylphenyl)oxiran-2-yl]methanone has a molecular weight of 300.36 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(2R,3S)-3-(4-phenylphenyl)oxiran-2-yl]methanone is sourced from PubChem (CID 6604737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).