4-hydroxy-5-[3-[3-[3-(2-propylphenoxy)phenoxy]propoxy]phenyl]-3H-1,3-thiazol-2-one

C27H27NO5S — CID 57255636

About 4-hydroxy-5-[3-[3-[3-(2-propylphenoxy)phenoxy]propoxy]phenyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[3-[3-[3-(2-propylphenoxy)phenoxy]propoxy]phenyl]-3H-1,3-thiazol-2-one (PubChem CID 57255636) has the molecular formula C27H27NO5S and a molecular weight of 477.58 g/mol. Its IUPAC name is 4-hydroxy-5-[3-[3-[3-(2-propylphenoxy)phenoxy]propoxy]phenyl]-3H-1,3-thiazol-2-one.

Molecular Properties

• Compound Name: 4-hydroxy-5-[3-[3-[3-(2-propylphenoxy)phenoxy]propoxy]phenyl]-3H-1,3-thiazol-2-one
• PubChem CID: 57255636
• Molecular Formula: C27H27NO5S
• Molecular Weight: 477.58 g/mol
• Exact Mass: 477.16
• IUPAC Name: 4-hydroxy-5-[3-[3-[3-(2-propylphenoxy)phenoxy]propoxy]phenyl]-3H-1,3-thiazol-2-one
• SMILES: CCCc1ccccc1Oc1cccc(OCCCOc2cccc(-c3sc(=O)[nH]c3O)c2)c1
• InChI: InChI=1S/C27H27NO5S/c1-2-8-19-9-3-4-14-24(19)33-23-13-6-12-22(18-23)32-16-7-15-31-21-11-5-10-20(17-21)25-26(29)28-27(30)34-25/h3-6,9-14,17-18,29H,2,7-8,15-16H2,1H3,(H,28,30)
• InChIKey: GVTNTTBRIRXRKE-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 80.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.58
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[3-[3-[3-(2-propylphenoxy)phenoxy]propoxy]phenyl]-3H-1,3-thiazol-2-one?

The IUPAC name of 4-hydroxy-5-[3-[3-[3-(2-propylphenoxy)phenoxy]propoxy]phenyl]-3H-1,3-thiazol-2-one (CID 57255636) is 4-hydroxy-5-[3-[3-[3-(2-propylphenoxy)phenoxy]propoxy]phenyl]-3H-1,3-thiazol-2-one.

What is the SMILES notation for 4-hydroxy-5-[3-[3-[3-(2-propylphenoxy)phenoxy]propoxy]phenyl]-3H-1,3-thiazol-2-one?

The canonical SMILES for 4-hydroxy-5-[3-[3-[3-(2-propylphenoxy)phenoxy]propoxy]phenyl]-3H-1,3-thiazol-2-one is CCCc1ccccc1Oc1cccc(OCCCOc2cccc(-c3sc(=O)[nH]c3O)c2)c1.

What is the InChIKey of 4-hydroxy-5-[3-[3-[3-(2-propylphenoxy)phenoxy]propoxy]phenyl]-3H-1,3-thiazol-2-one?

The InChIKey is GVTNTTBRIRXRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO5S/c1-2-8-19-9-3-4-14-24(19)33-23-13-6-12-22(18-23)32-16-7-15-31-21-11-5-10-20(17-21)25-26(29)28-27(30)34-25/h3-6,9-14,17-18,29H,2,7-8,15-16H2,1H3,(H,28,30).

What are the key properties of 4-hydroxy-5-[3-[3-[3-(2-propylphenoxy)phenoxy]propoxy]phenyl]-3H-1,3-thiazol-2-one?

4-hydroxy-5-[3-[3-[3-(2-propylphenoxy)phenoxy]propoxy]phenyl]-3H-1,3-thiazol-2-one has a molecular weight of 477.58 g/mol, XLogP of 6.40, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-5-[3-[3-[3-(2-propylphenoxy)phenoxy]propoxy]phenyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 57255636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).