(2R,4S,5R)-4,5-bis(2-chlorophenyl)-4-hydroxyoxolane-2-carboxylic acid

C17H14Cl2O4 — CID 25188735

IUPAC(2R,4S,5R)-4,5-bis(2-chlorophenyl)-4-hydroxyoxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@](O)(c2ccccc2Cl)[C@@H](c2ccccc2Cl)O1
InChIInChI=1S/C17H14Cl2O4/c18-12-7-3-1-5-10(12)15-17(22,9-14(23-15)16(20)21)11-6-2-4-8-13(11)19/h1-8,14-15,22H,9H2,(H,20,21)/t14-,15-,17+/m1/s1
InChIKeyOQZQSZCOZXBNDI-INMHGKMJSA-N
MW353.20 g/mol
LogP3.80
Rot. Bonds3

About (2R,4S,5R)-4,5-bis(2-chlorophenyl)-4-hydroxyoxolane-2-carboxylic acid

(2R,4S,5R)-4,5-bis(2-chlorophenyl)-4-hydroxyoxolane-2-carboxylic acid (PubChem CID 25188735) has the molecular formula C17H14Cl2O4 and a molecular weight of 353.20 g/mol. Its IUPAC name is (2R,4S,5R)-4,5-bis(2-chlorophenyl)-4-hydroxyoxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S,5R)-4,5-bis(2-chlorophenyl)-4-hydroxyoxolane-2-carboxylic acid
PubChem CID25188735
Molecular FormulaC17H14Cl2O4
Molecular Weight353.20 g/mol
Exact Mass352.03
IUPAC Name(2R,4S,5R)-4,5-bis(2-chlorophenyl)-4-hydroxyoxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@](O)(c2ccccc2Cl)[C@@H](c2ccccc2Cl)O1
InChIInChI=1S/C17H14Cl2O4/c18-12-7-3-1-5-10(12)15-17(22,9-14(23-15)16(20)21)11-6-2-4-8-13(11)19/h1-8,14-15,22H,9H2,(H,20,21)/t14-,15-,17+/m1/s1
InChIKeyOQZQSZCOZXBNDI-INMHGKMJSA-N
XLogP3.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-4,5-bis(2-chlorophenyl)-4-hydroxyoxolane-2-carboxylic acid?
The IUPAC name of (2R,4S,5R)-4,5-bis(2-chlorophenyl)-4-hydroxyoxolane-2-carboxylic acid (CID 25188735) is (2R,4S,5R)-4,5-bis(2-chlorophenyl)-4-hydroxyoxolane-2-carboxylic acid.
What is the SMILES notation for (2R,4S,5R)-4,5-bis(2-chlorophenyl)-4-hydroxyoxolane-2-carboxylic acid?
The canonical SMILES for (2R,4S,5R)-4,5-bis(2-chlorophenyl)-4-hydroxyoxolane-2-carboxylic acid is O=C(O)[C@H]1C[C@](O)(c2ccccc2Cl)[C@@H](c2ccccc2Cl)O1.
What is the InChIKey of (2R,4S,5R)-4,5-bis(2-chlorophenyl)-4-hydroxyoxolane-2-carboxylic acid?
The InChIKey is OQZQSZCOZXBNDI-INMHGKMJSA-N. The full InChI is InChI=1S/C17H14Cl2O4/c18-12-7-3-1-5-10(12)15-17(22,9-14(23-15)16(20)21)11-6-2-4-8-13(11)19/h1-8,14-15,22H,9H2,(H,20,21)/t14-,15-,17+/m1/s1.
What are the key properties of (2R,4S,5R)-4,5-bis(2-chlorophenyl)-4-hydroxyoxolane-2-carboxylic acid?
(2R,4S,5R)-4,5-bis(2-chlorophenyl)-4-hydroxyoxolane-2-carboxylic acid has a molecular weight of 353.20 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-4,5-bis(2-chlorophenyl)-4-hydroxyoxolane-2-carboxylic acid is sourced from PubChem (CID 25188735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).