2-(4-cyclohexylphenoxy)-2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid

C34H37NO6 — CID 139983293

About 2-(4-cyclohexylphenoxy)-2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid

2-(4-cyclohexylphenoxy)-2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid (PubChem CID 139983293) has the molecular formula C34H37NO6 and a molecular weight of 555.67 g/mol. Its IUPAC name is 2-(4-cyclohexylphenoxy)-2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid.

Molecular Properties

• Compound Name: 2-(4-cyclohexylphenoxy)-2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid
• PubChem CID: 139983293
• Molecular Formula: C34H37NO6
• Molecular Weight: 555.67 g/mol
• Exact Mass: 555.26
• IUPAC Name: 2-(4-cyclohexylphenoxy)-2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid
• SMILES: Cc1oc(-c2ccccc2)nc1CCOc1ccc(OCC(C)(Oc2ccc(C3CCCCC3)cc2)C(=O)O)cc1
• InChI: InChI=1S/C34H37NO6/c1-24-31(35-32(40-24)27-11-7-4-8-12-27)21-22-38-28-17-19-29(20-18-28)39-23-34(2,33(36)37)41-30-15-13-26(14-16-30)25-9-5-3-6-10-25/h4,7-8,11-20,25H,3,5-6,9-10,21-23H2,1-2H3,(H,36,37)
• InChIKey: WLMOGEZDBWSRDS-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 91.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.67
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenoxy)-2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid?

The IUPAC name of 2-(4-cyclohexylphenoxy)-2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid (CID 139983293) is 2-(4-cyclohexylphenoxy)-2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid.

What is the SMILES notation for 2-(4-cyclohexylphenoxy)-2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid?

The canonical SMILES for 2-(4-cyclohexylphenoxy)-2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid is Cc1oc(-c2ccccc2)nc1CCOc1ccc(OCC(C)(Oc2ccc(C3CCCCC3)cc2)C(=O)O)cc1.

What is the InChIKey of 2-(4-cyclohexylphenoxy)-2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid?

The InChIKey is WLMOGEZDBWSRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37NO6/c1-24-31(35-32(40-24)27-11-7-4-8-12-27)21-22-38-28-17-19-29(20-18-28)39-23-34(2,33(36)37)41-30-15-13-26(14-16-30)25-9-5-3-6-10-25/h4,7-8,11-20,25H,3,5-6,9-10,21-23H2,1-2H3,(H,36,37).

What are the key properties of 2-(4-cyclohexylphenoxy)-2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid?

2-(4-cyclohexylphenoxy)-2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid has a molecular weight of 555.67 g/mol, XLogP of 7.62, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclohexylphenoxy)-2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid is sourced from PubChem (CID 139983293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).