(2S,3R)-5-[[(1R)-1-(3,5-dichlorophenyl)ethoxy]methyl]-2,3-dimethyloxolane

C15H20Cl2O2 — CID 155242076

IUPAC(2S,3R)-5-[[(1R)-1-(3,5-dichlorophenyl)ethoxy]methyl]-2,3-dimethyloxolane
SMILESC[C@@H]1CC(CO[C@H](C)c2cc(Cl)cc(Cl)c2)O[C@H]1C
InChIInChI=1S/C15H20Cl2O2/c1-9-4-15(19-10(9)2)8-18-11(3)12-5-13(16)7-14(17)6-12/h5-7,9-11,15H,4,8H2,1-3H3/t9-,10+,11-,15?/m1/s1
InChIKeyWWBZXLWHURMJPP-XNQXYUBBSA-N
MW303.23 g/mol
LogP4.88
Rot. Bonds4

About (2S,3R)-5-[[(1R)-1-(3,5-dichlorophenyl)ethoxy]methyl]-2,3-dimethyloxolane

(2S,3R)-5-[[(1R)-1-(3,5-dichlorophenyl)ethoxy]methyl]-2,3-dimethyloxolane (PubChem CID 155242076) has the molecular formula C15H20Cl2O2 and a molecular weight of 303.23 g/mol. Its IUPAC name is (2S,3R)-5-[[(1R)-1-(3,5-dichlorophenyl)ethoxy]methyl]-2,3-dimethyloxolane.

Molecular Properties

Compound Name(2S,3R)-5-[[(1R)-1-(3,5-dichlorophenyl)ethoxy]methyl]-2,3-dimethyloxolane
PubChem CID155242076
Molecular FormulaC15H20Cl2O2
Molecular Weight303.23 g/mol
Exact Mass302.08
IUPAC Name(2S,3R)-5-[[(1R)-1-(3,5-dichlorophenyl)ethoxy]methyl]-2,3-dimethyloxolane
SMILESC[C@@H]1CC(CO[C@H](C)c2cc(Cl)cc(Cl)c2)O[C@H]1C
InChIInChI=1S/C15H20Cl2O2/c1-9-4-15(19-10(9)2)8-18-11(3)12-5-13(16)7-14(17)6-12/h5-7,9-11,15H,4,8H2,1-3H3/t9-,10+,11-,15?/m1/s1
InChIKeyWWBZXLWHURMJPP-XNQXYUBBSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-[[(1R)-1-(3,5-dichlorophenyl)ethoxy]methyl]-2,3-dimethyloxolane?
The IUPAC name of (2S,3R)-5-[[(1R)-1-(3,5-dichlorophenyl)ethoxy]methyl]-2,3-dimethyloxolane (CID 155242076) is (2S,3R)-5-[[(1R)-1-(3,5-dichlorophenyl)ethoxy]methyl]-2,3-dimethyloxolane.
What is the SMILES notation for (2S,3R)-5-[[(1R)-1-(3,5-dichlorophenyl)ethoxy]methyl]-2,3-dimethyloxolane?
The canonical SMILES for (2S,3R)-5-[[(1R)-1-(3,5-dichlorophenyl)ethoxy]methyl]-2,3-dimethyloxolane is C[C@@H]1CC(CO[C@H](C)c2cc(Cl)cc(Cl)c2)O[C@H]1C.
What is the InChIKey of (2S,3R)-5-[[(1R)-1-(3,5-dichlorophenyl)ethoxy]methyl]-2,3-dimethyloxolane?
The InChIKey is WWBZXLWHURMJPP-XNQXYUBBSA-N. The full InChI is InChI=1S/C15H20Cl2O2/c1-9-4-15(19-10(9)2)8-18-11(3)12-5-13(16)7-14(17)6-12/h5-7,9-11,15H,4,8H2,1-3H3/t9-,10+,11-,15?/m1/s1.
What are the key properties of (2S,3R)-5-[[(1R)-1-(3,5-dichlorophenyl)ethoxy]methyl]-2,3-dimethyloxolane?
(2S,3R)-5-[[(1R)-1-(3,5-dichlorophenyl)ethoxy]methyl]-2,3-dimethyloxolane has a molecular weight of 303.23 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5-[[(1R)-1-(3,5-dichlorophenyl)ethoxy]methyl]-2,3-dimethyloxolane is sourced from PubChem (CID 155242076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).