5-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-indene;methyl 2-[(1S)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetate;methyl propanoate

C67H74F2O8 — CID 143860034

About 5-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-indene;methyl 2-[(1S)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetate;methyl propanoate

5-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-indene;methyl 2-[(1S)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetate;methyl propanoate (PubChem CID 143860034) has the molecular formula C67H74F2O8 and a molecular weight of 1045.32 g/mol. Its IUPAC name is 5-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-indene;methyl 2-[(1S)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetate;methyl propanoate.

Molecular Properties

• Compound Name: 5-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-indene;methyl 2-[(1S)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetate;methyl propanoate
• PubChem CID: 143860034
• Molecular Formula: C67H74F2O8
• Molecular Weight: 1045.32 g/mol
• Exact Mass: 1044.54
• IUPAC Name: 5-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-indene;methyl 2-[(1S)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetate;methyl propanoate
• SMILES: CCC(=O)OC.COC(=O)C[C@@H]1CCc2ccc(OCc3ccc(-c4cc(OC)ccc4F)c(C4=CCCC4(C)C)c3)cc21.COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)CCC4)cc2C2=CCCC2(C)C)c1
• InChI: InChI=1S/C33H35FO4.C30H31FO2.C4H8O2/c1-33(2)15-5-6-30(33)28-16-21(7-13-26(28)29-18-24(36-3)12-14-31(29)34)20-38-25-11-10-22-8-9-23(27(22)19-25)17-32(35)37-4;1-30(2)15-5-8-28(30)26-16-20(19-33-24-11-10-21-6-4-7-22(21)17-24)9-13-25(26)27-18-23(32-3)12-14-29(27)31;1-3-4(5)6-2/h6-7,10-14,16,18-19,23H,5,8-9,15,17,20H2,1-4H3;8-14,16-18H,4-7,15,19H2,1-3H3;3H2,1-2H3/t23-;;/m0../s1
• InChIKey: BKKSKODKICDRCG-IFUPQEAVSA-N
• XLogP: 16.22
• TPSA: 89.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1045.32
LogP ≤ 5	16.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-indene;methyl 2-[(1S)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetate;methyl propanoate?

The IUPAC name of 5-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-indene;methyl 2-[(1S)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetate;methyl propanoate (CID 143860034) is 5-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-indene;methyl 2-[(1S)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetate;methyl propanoate.

What is the SMILES notation for 5-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-indene;methyl 2-[(1S)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetate;methyl propanoate?

The canonical SMILES for 5-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-indene;methyl 2-[(1S)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetate;methyl propanoate is CCC(=O)OC.COC(=O)C[C@@H]1CCc2ccc(OCc3ccc(-c4cc(OC)ccc4F)c(C4=CCCC4(C)C)c3)cc21.COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)CCC4)cc2C2=CCCC2(C)C)c1.

What is the InChIKey of 5-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-indene;methyl 2-[(1S)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetate;methyl propanoate?

The InChIKey is BKKSKODKICDRCG-IFUPQEAVSA-N. The full InChI is InChI=1S/C33H35FO4.C30H31FO2.C4H8O2/c1-33(2)15-5-6-30(33)28-16-21(7-13-26(28)29-18-24(36-3)12-14-31(29)34)20-38-25-11-10-22-8-9-23(27(22)19-25)17-32(35)37-4;1-30(2)15-5-8-28(30)26-16-20(19-33-24-11-10-21-6-4-7-22(21)17-24)9-13-25(26)27-18-23(32-3)12-14-29(27)31;1-3-4(5)6-2/h6-7,10-14,16,18-19,23H,5,8-9,15,17,20H2,1-4H3;8-14,16-18H,4-7,15,19H2,1-3H3;3H2,1-2H3/t23-;;/m0../s1.

What are the key properties of 5-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-indene;methyl 2-[(1S)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetate;methyl propanoate?

5-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-indene;methyl 2-[(1S)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetate;methyl propanoate has a molecular weight of 1045.32 g/mol, XLogP of 16.22, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-indene;methyl 2-[(1S)-6-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetate;methyl propanoate is sourced from PubChem (CID 143860034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).