2-[2-[1-[2-[2-(2-hydroxyethoxy)propan-2-yl]naphthalen-1-yl]naphthalen-2-yl]propan-2-yloxy]ethanol

C30H34O4 — CID 171778200

About 2-[2-[1-[2-[2-(2-hydroxyethoxy)propan-2-yl]naphthalen-1-yl]naphthalen-2-yl]propan-2-yloxy]ethanol

2-[2-[1-[2-[2-(2-hydroxyethoxy)propan-2-yl]naphthalen-1-yl]naphthalen-2-yl]propan-2-yloxy]ethanol (PubChem CID 171778200) has the molecular formula C30H34O4 and a molecular weight of 458.60 g/mol. Its IUPAC name is 2-[2-[1-[2-[2-(2-hydroxyethoxy)propan-2-yl]naphthalen-1-yl]naphthalen-2-yl]propan-2-yloxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[1-[2-[2-(2-hydroxyethoxy)propan-2-yl]naphthalen-1-yl]naphthalen-2-yl]propan-2-yloxy]ethanol
• PubChem CID: 171778200
• Molecular Formula: C30H34O4
• Molecular Weight: 458.60 g/mol
• Exact Mass: 458.25
• IUPAC Name: 2-[2-[1-[2-[2-(2-hydroxyethoxy)propan-2-yl]naphthalen-1-yl]naphthalen-2-yl]propan-2-yloxy]ethanol
• SMILES: CC(C)(OCCO)c1ccc2ccccc2c1-c1c(C(C)(C)OCCO)ccc2ccccc12
• InChI: InChI=1S/C30H34O4/c1-29(2,33-19-17-31)25-15-13-21-9-5-7-11-23(21)27(25)28-24-12-8-6-10-22(24)14-16-26(28)30(3,4)34-20-18-32/h5-16,31-32H,17-20H2,1-4H3
• InChIKey: WFCAGAZLFYOHIG-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 58.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.60
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[2-[2-(2-hydroxyethoxy)propan-2-yl]naphthalen-1-yl]naphthalen-2-yl]propan-2-yloxy]ethanol?

The IUPAC name of 2-[2-[1-[2-[2-(2-hydroxyethoxy)propan-2-yl]naphthalen-1-yl]naphthalen-2-yl]propan-2-yloxy]ethanol (CID 171778200) is 2-[2-[1-[2-[2-(2-hydroxyethoxy)propan-2-yl]naphthalen-1-yl]naphthalen-2-yl]propan-2-yloxy]ethanol.

What is the SMILES notation for 2-[2-[1-[2-[2-(2-hydroxyethoxy)propan-2-yl]naphthalen-1-yl]naphthalen-2-yl]propan-2-yloxy]ethanol?

The canonical SMILES for 2-[2-[1-[2-[2-(2-hydroxyethoxy)propan-2-yl]naphthalen-1-yl]naphthalen-2-yl]propan-2-yloxy]ethanol is CC(C)(OCCO)c1ccc2ccccc2c1-c1c(C(C)(C)OCCO)ccc2ccccc12.

What is the InChIKey of 2-[2-[1-[2-[2-(2-hydroxyethoxy)propan-2-yl]naphthalen-1-yl]naphthalen-2-yl]propan-2-yloxy]ethanol?

The InChIKey is WFCAGAZLFYOHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O4/c1-29(2,33-19-17-31)25-15-13-21-9-5-7-11-23(21)27(25)28-24-12-8-6-10-22(24)14-16-26(28)30(3,4)34-20-18-32/h5-16,31-32H,17-20H2,1-4H3.

What are the key properties of 2-[2-[1-[2-[2-(2-hydroxyethoxy)propan-2-yl]naphthalen-1-yl]naphthalen-2-yl]propan-2-yloxy]ethanol?

2-[2-[1-[2-[2-(2-hydroxyethoxy)propan-2-yl]naphthalen-1-yl]naphthalen-2-yl]propan-2-yloxy]ethanol has a molecular weight of 458.60 g/mol, XLogP of 6.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[1-[2-[2-(2-hydroxyethoxy)propan-2-yl]naphthalen-1-yl]naphthalen-2-yl]propan-2-yloxy]ethanol is sourced from PubChem (CID 171778200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).