3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-4-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-methylbenzoic acid;2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenoxy]acetic acid

C108H92N20O24 — CID 157259455

About 3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-4-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-methylbenzoic acid;2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenoxy]acetic acid

3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-4-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-methylbenzoic acid;2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenoxy]acetic acid (PubChem CID 157259455) has the molecular formula C108H92N20O24 and a molecular weight of 2054.04 g/mol. Its IUPAC name is 3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-4-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-methylbenzoic acid;2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenoxy]acetic acid.

Molecular Properties

• Compound Name: 3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-4-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-methylbenzoic acid;2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenoxy]acetic acid
• PubChem CID: 157259455
• Molecular Formula: C108H92N20O24
• Molecular Weight: 2054.04 g/mol
• Exact Mass: 2052.66
• IUPAC Name: 3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-4-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-methylbenzoic acid;2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenoxy]acetic acid
• SMILES: CCOc1cc(-c2ccc(C(=O)O)c(C)c2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2ccc(C(=O)O)c(O)c2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2ccc(OCC(=O)O)cc2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.O=C(O)c1ccc(O)c(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OC3CCCC3)c2)c1.O=C(O)c1cccc(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OC3CCCC3)c2)c1O
• InChI: InChI=1S/2C23H20N4O5.C21H18N4O5.C21H18N4O4.C20H16N4O5/c28-19-14(6-3-7-16(19)23(30)31)12-8-9-15(17(10-12)32-13-4-1-2-5-13)20-26-21-18(22(29)27-20)24-11-25-21;28-17-8-6-13(23(30)31)9-16(17)12-5-7-15(18(10-12)32-14-3-1-2-4-14)20-26-21-19(22(29)27-20)24-11-25-21;1-2-29-16-9-13(12-3-6-14(7-4-12)30-10-17(26)27)5-8-15(16)19-24-20-18(21(28)25-19)22-11-23-20;1-3-29-16-9-13(12-4-6-14(21(27)28)11(2)8-12)5-7-15(16)18-24-19-17(20(26)25-18)22-10-23-19;1-2-29-15-8-11(10-3-5-12(20(27)28)14(25)7-10)4-6-13(15)17-23-18-16(19(26)24-17)21-9-22-18/h3,6-11,13,28H,1-2,4-5H2,(H,30,31)(H2,24,25,26,27,29);5-11,14,28H,1-4H2,(H,30,31)(H2,24,25,26,27,29);3-9,11H,2,10H2,1H3,(H,26,27)(H2,22,23,24,25,28);4-10H,3H2,1-2H3,(H,27,28)(H2,22,23,24,25,26);3-9,25H,2H2,1H3,(H,27,28)(H2,21,22,23,24,26)
• InChIKey: AXHCGQYLUUSKPX-UHFFFAOYSA-N
• XLogP: 16.42
• TPSA: 674.72 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2054.04
LogP ≤ 5	16.42
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-4-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-methylbenzoic acid;2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenoxy]acetic acid?

The IUPAC name of 3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-4-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-methylbenzoic acid;2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenoxy]acetic acid (CID 157259455) is 3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-4-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-methylbenzoic acid;2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenoxy]acetic acid.

What is the SMILES notation for 3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-4-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-methylbenzoic acid;2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenoxy]acetic acid?

The canonical SMILES for 3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-4-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-methylbenzoic acid;2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenoxy]acetic acid is CCOc1cc(-c2ccc(C(=O)O)c(C)c2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2ccc(C(=O)O)c(O)c2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2ccc(OCC(=O)O)cc2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.O=C(O)c1ccc(O)c(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OC3CCCC3)c2)c1.O=C(O)c1cccc(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OC3CCCC3)c2)c1O.

What is the InChIKey of 3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-4-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-methylbenzoic acid;2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenoxy]acetic acid?

The InChIKey is AXHCGQYLUUSKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20N4O5.C21H18N4O5.C21H18N4O4.C20H16N4O5/c28-19-14(6-3-7-16(19)23(30)31)12-8-9-15(17(10-12)32-13-4-1-2-5-13)20-26-21-18(22(29)27-20)24-11-25-21;28-17-8-6-13(23(30)31)9-16(17)12-5-7-15(18(10-12)32-14-3-1-2-4-14)20-26-21-19(22(29)27-20)24-11-25-21;1-2-29-16-9-13(12-3-6-14(7-4-12)30-10-17(26)27)5-8-15(16)19-24-20-18(21(28)25-19)22-11-23-20;1-3-29-16-9-13(12-4-6-14(21(27)28)11(2)8-12)5-7-15(16)18-24-19-17(20(26)25-18)22-10-23-19;1-2-29-15-8-11(10-3-5-12(20(27)28)14(25)7-10)4-6-13(15)17-23-18-16(19(26)24-17)21-9-22-18/h3,6-11,13,28H,1-2,4-5H2,(H,30,31)(H2,24,25,26,27,29);5-11,14,28H,1-4H2,(H,30,31)(H2,24,25,26,27,29);3-9,11H,2,10H2,1H3,(H,26,27)(H2,22,23,24,25,28);4-10H,3H2,1-2H3,(H,27,28)(H2,22,23,24,25,26);3-9,25H,2H2,1H3,(H,27,28)(H2,21,22,23,24,26).

What are the key properties of 3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-4-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-methylbenzoic acid;2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenoxy]acetic acid?

3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-4-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-methylbenzoic acid;2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenoxy]acetic acid has a molecular weight of 2054.04 g/mol, XLogP of 16.42, 27 rotatable bonds, 18 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-4-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-hydroxybenzoic acid;4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-methylbenzoic acid;2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenoxy]acetic acid is sourced from PubChem (CID 157259455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).