lithium;(3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid;methyl (3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoate;hydroxide

C59H61F2LiO7 — CID 158425220

About lithium;(3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid;methyl (3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoate;hydroxide

lithium;(3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid;methyl (3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoate;hydroxide (PubChem CID 158425220) has the molecular formula C59H61F2LiO7 and a molecular weight of 927.07 g/mol. Its IUPAC name is lithium;(3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid;methyl (3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoate;hydroxide.

Molecular Properties

• Compound Name: lithium;(3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid;methyl (3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoate;hydroxide
• PubChem CID: 158425220
• Molecular Formula: C59H61F2LiO7
• Molecular Weight: 927.07 g/mol
• Exact Mass: 926.45
• IUPAC Name: lithium;(3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid;methyl (3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoate;hydroxide
• SMILES: COC(=O)C[C@@H](c1ccc2c(c1)OC(c1ccc(-c3cc(C)ccc3F)cc1)CC2)C1CCC1.Cc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](CC(=O)O)C5CCC5)cc4O3)cc2)c1.[Li+].[OH-]
• InChI: InChI=1S/C30H31FO3.C29H29FO3.Li.H2O/c1-19-6-14-27(31)26(16-19)21-7-9-22(10-8-21)28-15-13-23-11-12-24(17-29(23)34-28)25(18-30(32)33-2)20-4-3-5-20;1-18-5-13-26(30)25(15-18)20-6-8-21(9-7-20)27-14-12-22-10-11-23(16-28(22)33-27)24(17-29(31)32)19-3-2-4-19;;/h6-12,14,16-17,20,25,28H,3-5,13,15,18H2,1-2H3;5-11,13,15-16,19,24,27H,2-4,12,14,17H2,1H3,(H,31,32);;1H2/q;;+1;/p-1/t25-,28?;24-,27?;;/m11../s1
• InChIKey: HAYUOEZOOLLDPV-OUSSLHRPSA-M
• XLogP: 11.37
• TPSA: 112.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	927.07
LogP ≤ 5	11.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of lithium;(3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid;methyl (3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoate;hydroxide?

The IUPAC name of lithium;(3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid;methyl (3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoate;hydroxide (CID 158425220) is lithium;(3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid;methyl (3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoate;hydroxide.

What is the SMILES notation for lithium;(3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid;methyl (3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoate;hydroxide?

The canonical SMILES for lithium;(3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid;methyl (3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoate;hydroxide is COC(=O)C[C@@H](c1ccc2c(c1)OC(c1ccc(-c3cc(C)ccc3F)cc1)CC2)C1CCC1.Cc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](CC(=O)O)C5CCC5)cc4O3)cc2)c1.[Li+].[OH-].

What is the InChIKey of lithium;(3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid;methyl (3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoate;hydroxide?

The InChIKey is HAYUOEZOOLLDPV-OUSSLHRPSA-M. The full InChI is InChI=1S/C30H31FO3.C29H29FO3.Li.H2O/c1-19-6-14-27(31)26(16-19)21-7-9-22(10-8-21)28-15-13-23-11-12-24(17-29(23)34-28)25(18-30(32)33-2)20-4-3-5-20;1-18-5-13-26(30)25(15-18)20-6-8-21(9-7-20)27-14-12-22-10-11-23(16-28(22)33-27)24(17-29(31)32)19-3-2-4-19;;/h6-12,14,16-17,20,25,28H,3-5,13,15,18H2,1-2H3;5-11,13,15-16,19,24,27H,2-4,12,14,17H2,1H3,(H,31,32);;1H2/q;;+1;/p-1/t25-,28?;24-,27?;;/m11../s1.

What are the key properties of lithium;(3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid;methyl (3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoate;hydroxide?

lithium;(3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid;methyl (3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoate;hydroxide has a molecular weight of 927.07 g/mol, XLogP of 11.37, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid;methyl (3R)-3-cyclobutyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoate;hydroxide is sourced from PubChem (CID 158425220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).