(2R,3S,5R)-2,3-bis(4-chlorophenyl)-5-(hydroxymethyl)oxolan-3-ol

C17H16Cl2O3 — CID 16730269

IUPAC(2R,3S,5R)-2,3-bis(4-chlorophenyl)-5-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1C[C@](O)(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)O1
InChIInChI=1S/C17H16Cl2O3/c18-13-5-1-11(2-6-13)16-17(21,9-15(10-20)22-16)12-3-7-14(19)8-4-12/h1-8,15-16,20-21H,9-10H2/t15-,16-,17+/m1/s1
InChIKeyXXJIUIJJTWMURB-ZACQAIPSSA-N
MW339.22 g/mol
LogP3.70
Rot. Bonds3

About (2R,3S,5R)-2,3-bis(4-chlorophenyl)-5-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-2,3-bis(4-chlorophenyl)-5-(hydroxymethyl)oxolan-3-ol (PubChem CID 16730269) has the molecular formula C17H16Cl2O3 and a molecular weight of 339.22 g/mol. Its IUPAC name is (2R,3S,5R)-2,3-bis(4-chlorophenyl)-5-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-2,3-bis(4-chlorophenyl)-5-(hydroxymethyl)oxolan-3-ol
PubChem CID16730269
Molecular FormulaC17H16Cl2O3
Molecular Weight339.22 g/mol
Exact Mass338.05
IUPAC Name(2R,3S,5R)-2,3-bis(4-chlorophenyl)-5-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1C[C@](O)(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)O1
InChIInChI=1S/C17H16Cl2O3/c18-13-5-1-11(2-6-13)16-17(21,9-15(10-20)22-16)12-3-7-14(19)8-4-12/h1-8,15-16,20-21H,9-10H2/t15-,16-,17+/m1/s1
InChIKeyXXJIUIJJTWMURB-ZACQAIPSSA-N
XLogP3.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2,3-bis(4-chlorophenyl)-5-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-2,3-bis(4-chlorophenyl)-5-(hydroxymethyl)oxolan-3-ol (CID 16730269) is (2R,3S,5R)-2,3-bis(4-chlorophenyl)-5-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-2,3-bis(4-chlorophenyl)-5-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-2,3-bis(4-chlorophenyl)-5-(hydroxymethyl)oxolan-3-ol is OC[C@H]1C[C@](O)(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)O1.
What is the InChIKey of (2R,3S,5R)-2,3-bis(4-chlorophenyl)-5-(hydroxymethyl)oxolan-3-ol?
The InChIKey is XXJIUIJJTWMURB-ZACQAIPSSA-N. The full InChI is InChI=1S/C17H16Cl2O3/c18-13-5-1-11(2-6-13)16-17(21,9-15(10-20)22-16)12-3-7-14(19)8-4-12/h1-8,15-16,20-21H,9-10H2/t15-,16-,17+/m1/s1.
What are the key properties of (2R,3S,5R)-2,3-bis(4-chlorophenyl)-5-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-2,3-bis(4-chlorophenyl)-5-(hydroxymethyl)oxolan-3-ol has a molecular weight of 339.22 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2,3-bis(4-chlorophenyl)-5-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 16730269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).