2-[3-(ethoxymethoxy)-4-[[2-(ethoxymethoxy)-3-(2-hydroxypropan-2-yl)naphthalen-1-yl]methyl]naphthalen-2-yl]propan-2-ol

C33H40O6 — CID 163288585

About 2-[3-(ethoxymethoxy)-4-[[2-(ethoxymethoxy)-3-(2-hydroxypropan-2-yl)naphthalen-1-yl]methyl]naphthalen-2-yl]propan-2-ol

2-[3-(ethoxymethoxy)-4-[[2-(ethoxymethoxy)-3-(2-hydroxypropan-2-yl)naphthalen-1-yl]methyl]naphthalen-2-yl]propan-2-ol (PubChem CID 163288585) has the molecular formula C33H40O6 and a molecular weight of 532.68 g/mol. Its IUPAC name is 2-[3-(ethoxymethoxy)-4-[[2-(ethoxymethoxy)-3-(2-hydroxypropan-2-yl)naphthalen-1-yl]methyl]naphthalen-2-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[3-(ethoxymethoxy)-4-[[2-(ethoxymethoxy)-3-(2-hydroxypropan-2-yl)naphthalen-1-yl]methyl]naphthalen-2-yl]propan-2-ol
• PubChem CID: 163288585
• Molecular Formula: C33H40O6
• Molecular Weight: 532.68 g/mol
• Exact Mass: 532.28
• IUPAC Name: 2-[3-(ethoxymethoxy)-4-[[2-(ethoxymethoxy)-3-(2-hydroxypropan-2-yl)naphthalen-1-yl]methyl]naphthalen-2-yl]propan-2-ol
• SMILES: CCOCOc1c(C(C)(C)O)cc2ccccc2c1Cc1c(OCOCC)c(C(C)(C)O)cc2ccccc12
• InChI: InChI=1S/C33H40O6/c1-7-36-20-38-30-26(24-15-11-9-13-22(24)17-28(30)32(3,4)34)19-27-25-16-12-10-14-23(25)18-29(33(5,6)35)31(27)39-21-37-8-2/h9-18,34-35H,7-8,19-21H2,1-6H3
• InChIKey: XRAABMLBZTXGEW-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.68
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethoxymethoxy)-4-[[2-(ethoxymethoxy)-3-(2-hydroxypropan-2-yl)naphthalen-1-yl]methyl]naphthalen-2-yl]propan-2-ol?

The IUPAC name of 2-[3-(ethoxymethoxy)-4-[[2-(ethoxymethoxy)-3-(2-hydroxypropan-2-yl)naphthalen-1-yl]methyl]naphthalen-2-yl]propan-2-ol (CID 163288585) is 2-[3-(ethoxymethoxy)-4-[[2-(ethoxymethoxy)-3-(2-hydroxypropan-2-yl)naphthalen-1-yl]methyl]naphthalen-2-yl]propan-2-ol.

What is the SMILES notation for 2-[3-(ethoxymethoxy)-4-[[2-(ethoxymethoxy)-3-(2-hydroxypropan-2-yl)naphthalen-1-yl]methyl]naphthalen-2-yl]propan-2-ol?

The canonical SMILES for 2-[3-(ethoxymethoxy)-4-[[2-(ethoxymethoxy)-3-(2-hydroxypropan-2-yl)naphthalen-1-yl]methyl]naphthalen-2-yl]propan-2-ol is CCOCOc1c(C(C)(C)O)cc2ccccc2c1Cc1c(OCOCC)c(C(C)(C)O)cc2ccccc12.

What is the InChIKey of 2-[3-(ethoxymethoxy)-4-[[2-(ethoxymethoxy)-3-(2-hydroxypropan-2-yl)naphthalen-1-yl]methyl]naphthalen-2-yl]propan-2-ol?

The InChIKey is XRAABMLBZTXGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40O6/c1-7-36-20-38-30-26(24-15-11-9-13-22(24)17-28(30)32(3,4)34)19-27-25-16-12-10-14-23(25)18-29(33(5,6)35)31(27)39-21-37-8-2/h9-18,34-35H,7-8,19-21H2,1-6H3.

What are the key properties of 2-[3-(ethoxymethoxy)-4-[[2-(ethoxymethoxy)-3-(2-hydroxypropan-2-yl)naphthalen-1-yl]methyl]naphthalen-2-yl]propan-2-ol?

2-[3-(ethoxymethoxy)-4-[[2-(ethoxymethoxy)-3-(2-hydroxypropan-2-yl)naphthalen-1-yl]methyl]naphthalen-2-yl]propan-2-ol has a molecular weight of 532.68 g/mol, XLogP of 6.78, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(ethoxymethoxy)-4-[[2-(ethoxymethoxy)-3-(2-hydroxypropan-2-yl)naphthalen-1-yl]methyl]naphthalen-2-yl]propan-2-ol is sourced from PubChem (CID 163288585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).