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

C16H14O2 — CID 134931681

IUPAC(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane
SMILESc1ccc([C@H]2O[C@@H]2[C@H]2O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C16H14O2/c1-3-7-11(8-4-1)13-15(17-13)16-14(18-16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-,15+,16+/m1/s1
InChIKeyAEVRCWYHQSXTDS-WCVJEAGWSA-N
MW238.29 g/mol
LogP3.27
Rot. Bonds3

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

(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane (PubChem CID 134931681) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane.

Molecular Properties

Compound Name(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane
PubChem CID134931681
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane
SMILESc1ccc([C@H]2O[C@@H]2[C@H]2O[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C16H14O2/c1-3-7-11(8-4-1)13-15(17-13)16-14(18-16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-,15+,16+/m1/s1
InChIKeyAEVRCWYHQSXTDS-WCVJEAGWSA-N
XLogP3.27
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.27
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

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CID 87255492
2-(3-phenyloxiran-2-yl)-1,3-dioxolane
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(3S,4S)-3,4-diphenyldioxetane
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(1S,2S,4R,5R,7R)-4-phenyl-3,6,10-trioxatricyclo[5.3.0.02,5]decan-9-one
CID 44605290
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R,3S,4S,5R)-2,3,4,5-tetraphenyloxolane
CID 102288914
(2R)-2-methyl-3-phenyloxirane
CID 12040001
(1S,2S,5R,6R)-2-methyl-5-phenyl-3,4,7-trioxabicyclo[4.1.0]heptane
CID 11127104
(1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane
CID 101092394
(7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane
CID 101141161
(1R,5R,7R)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane
CID 101092393

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane?
The IUPAC name of (2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane (CID 134931681) is (2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane.
What is the SMILES notation for (2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane?
The canonical SMILES for (2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane is c1ccc([C@H]2O[C@@H]2[C@H]2O[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane?
The InChIKey is AEVRCWYHQSXTDS-WCVJEAGWSA-N. The full InChI is InChI=1S/C16H14O2/c1-3-7-11(8-4-1)13-15(17-13)16-14(18-16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-,15+,16+/m1/s1.
What are the key properties of (2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane?
(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane has a molecular weight of 238.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane is sourced from PubChem (CID 134931681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).