(2R)-2-[(1S)-7-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid

C34H41FO5 — CID 143977471

About (2R)-2-[(1S)-7-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid

(2R)-2-[(1S)-7-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid (PubChem CID 143977471) has the molecular formula C34H41FO5 and a molecular weight of 548.70 g/mol. Its IUPAC name is (2R)-2-[(1S)-7-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[(1S)-7-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid
• PubChem CID: 143977471
• Molecular Formula: C34H41FO5
• Molecular Weight: 548.70 g/mol
• Exact Mass: 548.29
• IUPAC Name: (2R)-2-[(1S)-7-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid
• SMILES: COc1cccc(-c2ccc(COc3ccc4c(c3)[C@](C)([C@@H](C)C(=O)O)CCC4)cc2[C@H](OC)C(C)(C)C)c1F
• InChI: InChI=1S/C34H41FO5/c1-21(32(36)37)34(5)17-9-10-23-14-15-24(19-28(23)34)40-20-22-13-16-25(26-11-8-12-29(38-6)30(26)35)27(18-22)31(39-7)33(2,3)4/h8,11-16,18-19,21,31H,9-10,17,20H2,1-7H3,(H,36,37)/t21-,31-,34-/m0/s1
• InChIKey: CTUGPDUBJXBLFW-NKLMRSRCSA-N
• XLogP: 8.13
• TPSA: 64.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.70
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-7-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid?

The IUPAC name of (2R)-2-[(1S)-7-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid (CID 143977471) is (2R)-2-[(1S)-7-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid.

What is the SMILES notation for (2R)-2-[(1S)-7-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid?

The canonical SMILES for (2R)-2-[(1S)-7-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid is COc1cccc(-c2ccc(COc3ccc4c(c3)[C@](C)([C@@H](C)C(=O)O)CCC4)cc2[C@H](OC)C(C)(C)C)c1F.

What is the InChIKey of (2R)-2-[(1S)-7-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid?

The InChIKey is CTUGPDUBJXBLFW-NKLMRSRCSA-N. The full InChI is InChI=1S/C34H41FO5/c1-21(32(36)37)34(5)17-9-10-23-14-15-24(19-28(23)34)40-20-22-13-16-25(26-11-8-12-29(38-6)30(26)35)27(18-22)31(39-7)33(2,3)4/h8,11-16,18-19,21,31H,9-10,17,20H2,1-7H3,(H,36,37)/t21-,31-,34-/m0/s1.

What are the key properties of (2R)-2-[(1S)-7-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid?

(2R)-2-[(1S)-7-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid has a molecular weight of 548.70 g/mol, XLogP of 8.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(1S)-7-[[4-(2-fluoro-3-methoxyphenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid is sourced from PubChem (CID 143977471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).