2-[[3-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid

C22H23F3O6 — CID 59712525

About 2-[[3-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid

2-[[3-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid (PubChem CID 59712525) has the molecular formula C22H23F3O6 and a molecular weight of 440.41 g/mol. Its IUPAC name is 2-[[3-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[3-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid
• PubChem CID: 59712525
• Molecular Formula: C22H23F3O6
• Molecular Weight: 440.41 g/mol
• Exact Mass: 440.14
• IUPAC Name: 2-[[3-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid
• SMILES: O=C(O)C1(Cc2cccc(OC[C@@H](O)COc3cccc(C(F)(F)F)c3)c2)CCCO1
• InChI: InChI=1S/C22H23F3O6/c23-22(24,25)16-5-2-7-19(11-16)30-14-17(26)13-29-18-6-1-4-15(10-18)12-21(20(27)28)8-3-9-31-21/h1-2,4-7,10-11,17,26H,3,8-9,12-14H2,(H,27,28)/t17-,21?/m1/s1
• InChIKey: LBNBTRIMEGDCNK-OQHSHRKDSA-N
• XLogP: 3.70
• TPSA: 85.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.41
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid?

The IUPAC name of 2-[[3-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid (CID 59712525) is 2-[[3-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid.

What is the SMILES notation for 2-[[3-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid?

The canonical SMILES for 2-[[3-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid is O=C(O)C1(Cc2cccc(OC[C@@H](O)COc3cccc(C(F)(F)F)c3)c2)CCCO1.

What is the InChIKey of 2-[[3-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid?

The InChIKey is LBNBTRIMEGDCNK-OQHSHRKDSA-N. The full InChI is InChI=1S/C22H23F3O6/c23-22(24,25)16-5-2-7-19(11-16)30-14-17(26)13-29-18-6-1-4-15(10-18)12-21(20(27)28)8-3-9-31-21/h1-2,4-7,10-11,17,26H,3,8-9,12-14H2,(H,27,28)/t17-,21?/m1/s1.

What are the key properties of 2-[[3-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid?

2-[[3-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid has a molecular weight of 440.41 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 59712525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).