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

C33H29NO6S — CID 54520611

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

5-[3-[3-(4-dibenzofuran-2-yloxy-2-propylphenoxy)propoxy]phenyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 54520611) has the molecular formula C33H29NO6S and a molecular weight of 567.66 g/mol. Its IUPAC name is 5-[3-[3-(4-dibenzofuran-2-yloxy-2-propylphenoxy)propoxy]phenyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

• Compound Name: 5-[3-[3-(4-dibenzofuran-2-yloxy-2-propylphenoxy)propoxy]phenyl]-4-hydroxy-3H-1,3-thiazol-2-one
• PubChem CID: 54520611
• Molecular Formula: C33H29NO6S
• Molecular Weight: 567.66 g/mol
• Exact Mass: 567.17
• IUPAC Name: 5-[3-[3-(4-dibenzofuran-2-yloxy-2-propylphenoxy)propoxy]phenyl]-4-hydroxy-3H-1,3-thiazol-2-one
• SMILES: CCCc1cc(Oc2ccc3oc4ccccc4c3c2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
• InChI: InChI=1S/C33H29NO6S/c1-2-7-21-18-24(39-25-13-15-30-27(20-25)26-10-3-4-11-29(26)40-30)12-14-28(21)38-17-6-16-37-23-9-5-8-22(19-23)31-32(35)34-33(36)41-31/h3-5,8-15,18-20,35H,2,6-7,16-17H2,1H3,(H,34,36)
• InChIKey: YPNPJZVFBUDTBA-UHFFFAOYSA-N
• XLogP: 8.30
• TPSA: 93.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.66
LogP ≤ 5	8.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[3-[3-(4-dibenzofuran-2-yloxy-2-propylphenoxy)propoxy]phenyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 54520611) is 5-[3-[3-(4-dibenzofuran-2-yloxy-2-propylphenoxy)propoxy]phenyl]-4-hydroxy-3H-1,3-thiazol-2-one.

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

The canonical SMILES for 5-[3-[3-(4-dibenzofuran-2-yloxy-2-propylphenoxy)propoxy]phenyl]-4-hydroxy-3H-1,3-thiazol-2-one is CCCc1cc(Oc2ccc3oc4ccccc4c3c2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1.

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

The InChIKey is YPNPJZVFBUDTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29NO6S/c1-2-7-21-18-24(39-25-13-15-30-27(20-25)26-10-3-4-11-29(26)40-30)12-14-28(21)38-17-6-16-37-23-9-5-8-22(19-23)31-32(35)34-33(36)41-31/h3-5,8-15,18-20,35H,2,6-7,16-17H2,1H3,(H,34,36).

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

5-[3-[3-(4-dibenzofuran-2-yloxy-2-propylphenoxy)propoxy]phenyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 567.66 g/mol, XLogP of 8.30, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[3-(4-dibenzofuran-2-yloxy-2-propylphenoxy)propoxy]phenyl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 54520611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).