2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol

C52H42O6 — CID 169258581

About 2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol

2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol (PubChem CID 169258581) has the molecular formula C52H42O6 and a molecular weight of 762.90 g/mol. Its IUPAC name is 2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol.

Molecular Properties

• Compound Name: 2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol
• PubChem CID: 169258581
• Molecular Formula: C52H42O6
• Molecular Weight: 762.90 g/mol
• Exact Mass: 762.30
• IUPAC Name: 2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol
• SMILES: OCCOc1ccc2ccccc2c1-c1c(OCc2ccc(COc3ccc4ccccc4c3-c3c(OCCO)ccc4ccccc34)cc2)ccc2ccccc12
• InChI: InChI=1S/C52H42O6/c53-29-31-55-45-25-21-37-9-1-5-13-41(37)49(45)51-43-15-7-3-11-39(43)23-27-47(51)57-33-35-17-19-36(20-18-35)34-58-48-28-24-40-12-4-8-16-44(40)52(48)50-42-14-6-2-10-38(42)22-26-46(50)56-32-30-54/h1-28,53-54H,29-34H2
• InChIKey: DCZZAPPCZTZVCU-UHFFFAOYSA-N
• XLogP: 11.53
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.90
LogP ≤ 5	11.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol?

The IUPAC name of 2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol (CID 169258581) is 2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol.

What is the SMILES notation for 2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol?

The canonical SMILES for 2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol is OCCOc1ccc2ccccc2c1-c1c(OCc2ccc(COc3ccc4ccccc4c3-c3c(OCCO)ccc4ccccc34)cc2)ccc2ccccc12.

What is the InChIKey of 2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol?

The InChIKey is DCZZAPPCZTZVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42O6/c53-29-31-55-45-25-21-37-9-1-5-13-41(37)49(45)51-43-15-7-3-11-39(43)23-27-47(51)57-33-35-17-19-36(20-18-35)34-58-48-28-24-40-12-4-8-16-44(40)52(48)50-42-14-6-2-10-38(42)22-26-46(50)56-32-30-54/h1-28,53-54H,29-34H2.

What are the key properties of 2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol?

2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol has a molecular weight of 762.90 g/mol, XLogP of 11.53, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol is sourced from PubChem (CID 169258581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).