2-[[2-[(6-cyclopropylnaphthalen-2-yl)oxymethoxy]-5-[[3-(oxiran-2-ylmethyl)-4-[[6-(oxiran-2-yl)naphthalen-2-yl]oxymethoxy]phenyl]methyl]phenyl]methyl]oxirane

C46H42O7 — CID 174090668

About 2-[[2-[(6-cyclopropylnaphthalen-2-yl)oxymethoxy]-5-[[3-(oxiran-2-ylmethyl)-4-[[6-(oxiran-2-yl)naphthalen-2-yl]oxymethoxy]phenyl]methyl]phenyl]methyl]oxirane

2-[[2-[(6-cyclopropylnaphthalen-2-yl)oxymethoxy]-5-[[3-(oxiran-2-ylmethyl)-4-[[6-(oxiran-2-yl)naphthalen-2-yl]oxymethoxy]phenyl]methyl]phenyl]methyl]oxirane (PubChem CID 174090668) has the molecular formula C46H42O7 and a molecular weight of 706.84 g/mol. Its IUPAC name is 2-[[2-[(6-cyclopropylnaphthalen-2-yl)oxymethoxy]-5-[[3-(oxiran-2-ylmethyl)-4-[[6-(oxiran-2-yl)naphthalen-2-yl]oxymethoxy]phenyl]methyl]phenyl]methyl]oxirane.

Molecular Properties

• Compound Name: 2-[[2-[(6-cyclopropylnaphthalen-2-yl)oxymethoxy]-5-[[3-(oxiran-2-ylmethyl)-4-[[6-(oxiran-2-yl)naphthalen-2-yl]oxymethoxy]phenyl]methyl]phenyl]methyl]oxirane
• PubChem CID: 174090668
• Molecular Formula: C46H42O7
• Molecular Weight: 706.84 g/mol
• Exact Mass: 706.29
• IUPAC Name: 2-[[2-[(6-cyclopropylnaphthalen-2-yl)oxymethoxy]-5-[[3-(oxiran-2-ylmethyl)-4-[[6-(oxiran-2-yl)naphthalen-2-yl]oxymethoxy]phenyl]methyl]phenyl]methyl]oxirane
• SMILES: c1cc(OCOc2ccc3cc(C4CC4)ccc3c2)c(CC2CO2)cc1Cc1ccc(OCOc2ccc3cc(C4CO4)ccc3c2)c(CC2CO2)c1
• InChI: InChI=1S/C46H42O7/c1-13-44(52-27-50-40-11-9-33-18-32(31-3-4-31)5-6-35(33)20-40)38(22-42-24-47-42)16-29(1)15-30-2-14-45(39(17-30)23-43-25-48-43)53-28-51-41-12-10-34-19-37(46-26-49-46)8-7-36(34)21-41/h1-2,5-14,16-21,31,42-43,46H,3-4,15,22-28H2
• InChIKey: PLWWCNYGWOACMF-UHFFFAOYSA-N
• XLogP: 9.25
• TPSA: 74.51 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.84
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-cyclopropylnaphthalen-2-yl)oxymethoxy]-5-[[3-(oxiran-2-ylmethyl)-4-[[6-(oxiran-2-yl)naphthalen-2-yl]oxymethoxy]phenyl]methyl]phenyl]methyl]oxirane?

The IUPAC name of 2-[[2-[(6-cyclopropylnaphthalen-2-yl)oxymethoxy]-5-[[3-(oxiran-2-ylmethyl)-4-[[6-(oxiran-2-yl)naphthalen-2-yl]oxymethoxy]phenyl]methyl]phenyl]methyl]oxirane (CID 174090668) is 2-[[2-[(6-cyclopropylnaphthalen-2-yl)oxymethoxy]-5-[[3-(oxiran-2-ylmethyl)-4-[[6-(oxiran-2-yl)naphthalen-2-yl]oxymethoxy]phenyl]methyl]phenyl]methyl]oxirane.

What is the SMILES notation for 2-[[2-[(6-cyclopropylnaphthalen-2-yl)oxymethoxy]-5-[[3-(oxiran-2-ylmethyl)-4-[[6-(oxiran-2-yl)naphthalen-2-yl]oxymethoxy]phenyl]methyl]phenyl]methyl]oxirane?

The canonical SMILES for 2-[[2-[(6-cyclopropylnaphthalen-2-yl)oxymethoxy]-5-[[3-(oxiran-2-ylmethyl)-4-[[6-(oxiran-2-yl)naphthalen-2-yl]oxymethoxy]phenyl]methyl]phenyl]methyl]oxirane is c1cc(OCOc2ccc3cc(C4CC4)ccc3c2)c(CC2CO2)cc1Cc1ccc(OCOc2ccc3cc(C4CO4)ccc3c2)c(CC2CO2)c1.

What is the InChIKey of 2-[[2-[(6-cyclopropylnaphthalen-2-yl)oxymethoxy]-5-[[3-(oxiran-2-ylmethyl)-4-[[6-(oxiran-2-yl)naphthalen-2-yl]oxymethoxy]phenyl]methyl]phenyl]methyl]oxirane?

The InChIKey is PLWWCNYGWOACMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42O7/c1-13-44(52-27-50-40-11-9-33-18-32(31-3-4-31)5-6-35(33)20-40)38(22-42-24-47-42)16-29(1)15-30-2-14-45(39(17-30)23-43-25-48-43)53-28-51-41-12-10-34-19-37(46-26-49-46)8-7-36(34)21-41/h1-2,5-14,16-21,31,42-43,46H,3-4,15,22-28H2.

What are the key properties of 2-[[2-[(6-cyclopropylnaphthalen-2-yl)oxymethoxy]-5-[[3-(oxiran-2-ylmethyl)-4-[[6-(oxiran-2-yl)naphthalen-2-yl]oxymethoxy]phenyl]methyl]phenyl]methyl]oxirane?

2-[[2-[(6-cyclopropylnaphthalen-2-yl)oxymethoxy]-5-[[3-(oxiran-2-ylmethyl)-4-[[6-(oxiran-2-yl)naphthalen-2-yl]oxymethoxy]phenyl]methyl]phenyl]methyl]oxirane has a molecular weight of 706.84 g/mol, XLogP of 9.25, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[(6-cyclopropylnaphthalen-2-yl)oxymethoxy]-5-[[3-(oxiran-2-ylmethyl)-4-[[6-(oxiran-2-yl)naphthalen-2-yl]oxymethoxy]phenyl]methyl]phenyl]methyl]oxirane is sourced from PubChem (CID 174090668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).