2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one

C28H38O8 — CID 68740379

About 2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one

2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one (PubChem CID 68740379) has the molecular formula C28H38O8 and a molecular weight of 502.60 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one.

Molecular Properties

• Compound Name: 2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one
• PubChem CID: 68740379
• Molecular Formula: C28H38O8
• Molecular Weight: 502.60 g/mol
• Exact Mass: 502.26
• IUPAC Name: 2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one
• SMILES: CC(C)(O)C(=O)c1ccc(COCCOCCOCCOCc2ccc(C(=O)C(C)(C)O)cc2)cc1
• InChI: InChI=1S/C28H38O8/c1-27(2,31)25(29)23-9-5-21(6-10-23)19-35-17-15-33-13-14-34-16-18-36-20-22-7-11-24(12-8-22)26(30)28(3,4)32/h5-12,31-32H,13-20H2,1-4H3
• InChIKey: ADTUWGYNOJNWAR-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 111.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.60
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one?

The IUPAC name of 2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one (CID 68740379) is 2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one.

What is the SMILES notation for 2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one?

The canonical SMILES for 2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one is CC(C)(O)C(=O)c1ccc(COCCOCCOCCOCc2ccc(C(=O)C(C)(C)O)cc2)cc1.

What is the InChIKey of 2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one?

The InChIKey is ADTUWGYNOJNWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O8/c1-27(2,31)25(29)23-9-5-21(6-10-23)19-35-17-15-33-13-14-34-16-18-36-20-22-7-11-24(12-8-22)26(30)28(3,4)32/h5-12,31-32H,13-20H2,1-4H3.

What are the key properties of 2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one?

2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one has a molecular weight of 502.60 g/mol, XLogP of 3.36, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 68740379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).