(2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol

C11H14O5 — CID 70793169

IUPAC(2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol
SMILESCOc1ccc(O[C@@H]2OC[C@@H](O)[C@H]2O)cc1
InChIInChI=1S/C11H14O5/c1-14-7-2-4-8(5-3-7)16-11-10(13)9(12)6-15-11/h2-5,9-13H,6H2,1H3/t9-,10-,11+/m1/s1
InChIKeyQVAPUJZYUKRTBH-MXWKQRLJSA-N
MW226.23 g/mol
LogP0.15
Rot. Bonds3

About (2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol

(2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol (PubChem CID 70793169) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is (2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol
PubChem CID70793169
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name(2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol
SMILESCOc1ccc(O[C@@H]2OC[C@@H](O)[C@H]2O)cc1
InChIInChI=1S/C11H14O5/c1-14-7-2-4-8(5-3-7)16-11-10(13)9(12)6-15-11/h2-5,9-13H,6H2,1H3/t9-,10-,11+/m1/s1
InChIKeyQVAPUJZYUKRTBH-MXWKQRLJSA-N
XLogP0.15
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol (CID 70793169) is (2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol is COc1ccc(O[C@@H]2OC[C@@H](O)[C@H]2O)cc1.
What is the InChIKey of (2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol?
The InChIKey is QVAPUJZYUKRTBH-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H14O5/c1-14-7-2-4-8(5-3-7)16-11-10(13)9(12)6-15-11/h2-5,9-13H,6H2,1H3/t9-,10-,11+/m1/s1.
What are the key properties of (2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol?
(2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol has a molecular weight of 226.23 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2-(4-methoxyphenoxy)oxolane-3,4-diol is sourced from PubChem (CID 70793169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).