methyl (1'R,4R)-6-[[4-(2-fluoro-5-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate

C35H41FO5 — CID 67362109

About methyl (1'R,4R)-6-[[4-(2-fluoro-5-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate

methyl (1'R,4R)-6-[[4-(2-fluoro-5-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate (PubChem CID 67362109) has the molecular formula C35H41FO5 and a molecular weight of 560.71 g/mol. Its IUPAC name is methyl (1'R,4R)-6-[[4-(2-fluoro-5-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate.

Molecular Properties

• Compound Name: methyl (1'R,4R)-6-[[4-(2-fluoro-5-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate
• PubChem CID: 67362109
• Molecular Formula: C35H41FO5
• Molecular Weight: 560.71 g/mol
• Exact Mass: 560.29
• IUPAC Name: methyl (1'R,4R)-6-[[4-(2-fluoro-5-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate
• SMILES: COC(=O)[C@@H]1CC[C@]12CCCc1ccc(OCc3ccc(-c4cc(OC)ccc4F)c([C@@H](OC)C(C)(C)C)c3)cc12
• InChI: InChI=1S/C35H41FO5/c1-34(2,3)32(39-5)28-18-22(9-13-26(28)27-19-24(38-4)12-14-31(27)36)21-41-25-11-10-23-8-7-16-35(30(23)20-25)17-15-29(35)33(37)40-6/h9-14,18-20,29,32H,7-8,15-17,21H2,1-6H3/t29-,32+,35+/m0/s1
• InChIKey: NFPXKBLYFISVNI-MYWKAQKNSA-N
• XLogP: 7.97
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.71
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl (1'R,4R)-6-[[4-(2-fluoro-5-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate?

The IUPAC name of methyl (1'R,4R)-6-[[4-(2-fluoro-5-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate (CID 67362109) is methyl (1'R,4R)-6-[[4-(2-fluoro-5-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate.

What is the SMILES notation for methyl (1'R,4R)-6-[[4-(2-fluoro-5-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate?

The canonical SMILES for methyl (1'R,4R)-6-[[4-(2-fluoro-5-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate is COC(=O)[C@@H]1CC[C@]12CCCc1ccc(OCc3ccc(-c4cc(OC)ccc4F)c([C@@H](OC)C(C)(C)C)c3)cc12.

What is the InChIKey of methyl (1'R,4R)-6-[[4-(2-fluoro-5-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate?

The InChIKey is NFPXKBLYFISVNI-MYWKAQKNSA-N. The full InChI is InChI=1S/C35H41FO5/c1-34(2,3)32(39-5)28-18-22(9-13-26(28)27-19-24(38-4)12-14-31(27)36)21-41-25-11-10-23-8-7-16-35(30(23)20-25)17-15-29(35)33(37)40-6/h9-14,18-20,29,32H,7-8,15-17,21H2,1-6H3/t29-,32+,35+/m0/s1.

What are the key properties of methyl (1'R,4R)-6-[[4-(2-fluoro-5-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate?

methyl (1'R,4R)-6-[[4-(2-fluoro-5-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate has a molecular weight of 560.71 g/mol, XLogP of 7.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (1'R,4R)-6-[[4-(2-fluoro-5-methoxyphenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate is sourced from PubChem (CID 67362109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).