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

C59H61F2LiO7 — CID 159633460

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

lithium;(3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;methyl (3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate;hydroxide (PubChem CID 159633460) has the molecular formula C59H61F2LiO7 and a molecular weight of 927.07 g/mol. Its IUPAC name is lithium;(3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;methyl (3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate;hydroxide.

Molecular Properties

• Compound Name: lithium;(3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;methyl (3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate;hydroxide
• PubChem CID: 159633460
• Molecular Formula: C59H61F2LiO7
• Molecular Weight: 927.07 g/mol
• Exact Mass: 926.45
• IUPAC Name: lithium;(3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;methyl (3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate;hydroxide
• SMILES: COC(=O)C(C)[C@H](c1ccc2c(c1)OC(c1ccc(-c3cc(C)ccc3F)cc1)CC2)C1CC1.Cc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)C(C)C(=O)O)cc4O3)cc2)c1.[Li+].[OH-]
• InChI: InChI=1S/C30H31FO3.C29H29FO3.Li.H2O/c1-18-4-14-26(31)25(16-18)20-5-7-21(8-6-20)27-15-13-22-9-12-24(17-28(22)34-27)29(23-10-11-23)19(2)30(32)33-3;1-17-3-13-25(30)24(15-17)19-4-6-20(7-5-19)26-14-12-21-8-11-23(16-27(21)33-26)28(22-9-10-22)18(2)29(31)32;;/h4-9,12,14,16-17,19,23,27,29H,10-11,13,15H2,1-3H3;3-8,11,13,15-16,18,22,26,28H,9-10,12,14H2,1-2H3,(H,31,32);;1H2/q;;+1;/p-1/t19?,27?,29-;18?,26?,28-;;/m00../s1
• InChIKey: MPKZFYPAQBGCAO-UNNOPKSMSA-M
• XLogP: 11.08
• 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	11.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of lithium;(3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;methyl (3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate;hydroxide (CID 159633460) is lithium;(3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;methyl (3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate;hydroxide.

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

The canonical SMILES for lithium;(3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;methyl (3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate;hydroxide is COC(=O)C(C)[C@H](c1ccc2c(c1)OC(c1ccc(-c3cc(C)ccc3F)cc1)CC2)C1CC1.Cc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)C(C)C(=O)O)cc4O3)cc2)c1.[Li+].[OH-].

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

The InChIKey is MPKZFYPAQBGCAO-UNNOPKSMSA-M. The full InChI is InChI=1S/C30H31FO3.C29H29FO3.Li.H2O/c1-18-4-14-26(31)25(16-18)20-5-7-21(8-6-20)27-15-13-22-9-12-24(17-28(22)34-27)29(23-10-11-23)19(2)30(32)33-3;1-17-3-13-25(30)24(15-17)19-4-6-20(7-5-19)26-14-12-21-8-11-23(16-27(21)33-26)28(22-9-10-22)18(2)29(31)32;;/h4-9,12,14,16-17,19,23,27,29H,10-11,13,15H2,1-3H3;3-8,11,13,15-16,18,22,26,28H,9-10,12,14H2,1-2H3,(H,31,32);;1H2/q;;+1;/p-1/t19?,27?,29-;18?,26?,28-;;/m00../s1.

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

lithium;(3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;methyl (3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate;hydroxide has a molecular weight of 927.07 g/mol, XLogP of 11.08, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;methyl (3R)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate;hydroxide is sourced from PubChem (CID 159633460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).