(2R)-2-[1-[1-[(2R)-oxiran-2-yl]-2-phenylethoxy]-2-phenylethyl]oxirane

C20H22O3 — CID 45489976

IUPAC(2R)-2-[1-[1-[(2R)-oxiran-2-yl]-2-phenylethoxy]-2-phenylethyl]oxirane
SMILESc1ccc(CC(OC(Cc2ccccc2)[C@H]2CO2)[C@H]2CO2)cc1
InChIInChI=1S/C20H22O3/c1-3-7-15(8-4-1)11-17(19-13-21-19)23-18(20-14-22-20)12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17?,18?,19-,20-/m1/s1
InChIKeyINYZESYRGCASNS-NTFDOXNWSA-N
MW310.39 g/mol
LogP3.02
Rot. Bonds8

About (2R)-2-[1-[1-[(2R)-oxiran-2-yl]-2-phenylethoxy]-2-phenylethyl]oxirane

(2R)-2-[1-[1-[(2R)-oxiran-2-yl]-2-phenylethoxy]-2-phenylethyl]oxirane (PubChem CID 45489976) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is (2R)-2-[1-[1-[(2R)-oxiran-2-yl]-2-phenylethoxy]-2-phenylethyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[1-[1-[(2R)-oxiran-2-yl]-2-phenylethoxy]-2-phenylethyl]oxirane
PubChem CID45489976
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name(2R)-2-[1-[1-[(2R)-oxiran-2-yl]-2-phenylethoxy]-2-phenylethyl]oxirane
SMILESc1ccc(CC(OC(Cc2ccccc2)[C@H]2CO2)[C@H]2CO2)cc1
InChIInChI=1S/C20H22O3/c1-3-7-15(8-4-1)11-17(19-13-21-19)23-18(20-14-22-20)12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17?,18?,19-,20-/m1/s1
InChIKeyINYZESYRGCASNS-NTFDOXNWSA-N
XLogP3.02
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.02
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 (2R)-2-[1-[1-[(2R)-oxiran-2-yl]-2-phenylethoxy]-2-phenylethyl]oxirane?
The IUPAC name of (2R)-2-[1-[1-[(2R)-oxiran-2-yl]-2-phenylethoxy]-2-phenylethyl]oxirane (CID 45489976) is (2R)-2-[1-[1-[(2R)-oxiran-2-yl]-2-phenylethoxy]-2-phenylethyl]oxirane.
What is the SMILES notation for (2R)-2-[1-[1-[(2R)-oxiran-2-yl]-2-phenylethoxy]-2-phenylethyl]oxirane?
The canonical SMILES for (2R)-2-[1-[1-[(2R)-oxiran-2-yl]-2-phenylethoxy]-2-phenylethyl]oxirane is c1ccc(CC(OC(Cc2ccccc2)[C@H]2CO2)[C@H]2CO2)cc1.
What is the InChIKey of (2R)-2-[1-[1-[(2R)-oxiran-2-yl]-2-phenylethoxy]-2-phenylethyl]oxirane?
The InChIKey is INYZESYRGCASNS-NTFDOXNWSA-N. The full InChI is InChI=1S/C20H22O3/c1-3-7-15(8-4-1)11-17(19-13-21-19)23-18(20-14-22-20)12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17?,18?,19-,20-/m1/s1.
What are the key properties of (2R)-2-[1-[1-[(2R)-oxiran-2-yl]-2-phenylethoxy]-2-phenylethyl]oxirane?
(2R)-2-[1-[1-[(2R)-oxiran-2-yl]-2-phenylethoxy]-2-phenylethyl]oxirane has a molecular weight of 310.39 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-[1-[(2R)-oxiran-2-yl]-2-phenylethoxy]-2-phenylethyl]oxirane is sourced from PubChem (CID 45489976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).