cyclopropane;3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid

C33H37FO4 — CID 143789011

About cyclopropane;3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid

cyclopropane;3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid (PubChem CID 143789011) has the molecular formula C33H37FO4 and a molecular weight of 516.65 g/mol. Its IUPAC name is cyclopropane;3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid.

Molecular Properties

• Compound Name: cyclopropane;3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
• PubChem CID: 143789011
• Molecular Formula: C33H37FO4
• Molecular Weight: 516.65 g/mol
• Exact Mass: 516.27
• IUPAC Name: cyclopropane;3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
• SMILES: C1CC1.COc1ccc(F)c(-c2ccc(COc3cccc(CCC(=O)O)c3)cc2C2=CCCC2(C)C)c1
• InChI: InChI=1S/C30H31FO4.C3H6/c1-30(2)15-5-8-27(30)25-17-21(9-12-24(25)26-18-22(34-3)11-13-28(26)31)19-35-23-7-4-6-20(16-23)10-14-29(32)33;1-2-3-1/h4,6-9,11-13,16-18H,5,10,14-15,19H2,1-3H3,(H,32,33);1-3H2
• InChIKey: IWYUXVCXCOWFHL-UHFFFAOYSA-N
• XLogP: 8.47
• TPSA: 55.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.65
LogP ≤ 5	8.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of cyclopropane;3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid?

The IUPAC name of cyclopropane;3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid (CID 143789011) is cyclopropane;3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid.

What is the SMILES notation for cyclopropane;3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid?

The canonical SMILES for cyclopropane;3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid is C1CC1.COc1ccc(F)c(-c2ccc(COc3cccc(CCC(=O)O)c3)cc2C2=CCCC2(C)C)c1.

What is the InChIKey of cyclopropane;3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid?

The InChIKey is IWYUXVCXCOWFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FO4.C3H6/c1-30(2)15-5-8-27(30)25-17-21(9-12-24(25)26-18-22(34-3)11-13-28(26)31)19-35-23-7-4-6-20(16-23)10-14-29(32)33;1-2-3-1/h4,6-9,11-13,16-18H,5,10,14-15,19H2,1-3H3,(H,32,33);1-3H2.

What are the key properties of cyclopropane;3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid?

cyclopropane;3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid has a molecular weight of 516.65 g/mol, XLogP of 8.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropane;3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 143789011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).