(2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol

C11H13ClO5 — CID 7078165

IUPAC(2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol
SMILESO[C@H]1[C@H](Oc2ccccc2Cl)OC[C@@H](O)[C@H]1O
InChIInChI=1S/C11H13ClO5/c12-6-3-1-2-4-8(6)17-11-10(15)9(14)7(13)5-16-11/h1-4,7,9-11,13-15H,5H2/t7-,9-,10-,11+/m1/s1
InChIKeyBBLYSAOWWVWKNA-WKJUBOCMSA-N
MW260.67 g/mol
LogP0.16
Rot. Bonds2

About (2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol

(2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol (PubChem CID 7078165) has the molecular formula C11H13ClO5 and a molecular weight of 260.67 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol
PubChem CID7078165
Molecular FormulaC11H13ClO5
Molecular Weight260.67 g/mol
Exact Mass260.05
IUPAC Name(2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol
SMILESO[C@H]1[C@H](Oc2ccccc2Cl)OC[C@@H](O)[C@H]1O
InChIInChI=1S/C11H13ClO5/c12-6-3-1-2-4-8(6)17-11-10(15)9(14)7(13)5-16-11/h1-4,7,9-11,13-15H,5H2/t7-,9-,10-,11+/m1/s1
InChIKeyBBLYSAOWWVWKNA-WKJUBOCMSA-N
XLogP0.16
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.67
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol (CID 7078165) is (2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol is O[C@H]1[C@H](Oc2ccccc2Cl)OC[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol?
The InChIKey is BBLYSAOWWVWKNA-WKJUBOCMSA-N. The full InChI is InChI=1S/C11H13ClO5/c12-6-3-1-2-4-8(6)17-11-10(15)9(14)7(13)5-16-11/h1-4,7,9-11,13-15H,5H2/t7-,9-,10-,11+/m1/s1.
What are the key properties of (2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol?
(2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol has a molecular weight of 260.67 g/mol, XLogP of 0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-(2-chlorophenoxy)oxane-3,4,5-triol is sourced from PubChem (CID 7078165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).