2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-6-yl]oxyacetic acid;2-[1-[3-[[8-(cyclopropylmethyl)-4-(trifluoromethyl)-2H-1,3-benzoxazin-7-yl]oxy]propyl]indol-4-yl]oxy-2-methylpropanoic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-4-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-6-yl]oxyacetic acid

C148H144F6N6O25 — CID 158133591

About 2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-6-yl]oxyacetic acid;2-[1-[3-[[8-(cyclopropylmethyl)-4-(trifluoromethyl)-2H-1,3-benzoxazin-7-yl]oxy]propyl]indol-4-yl]oxy-2-methylpropanoic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-4-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-6-yl]oxyacetic acid

2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-6-yl]oxyacetic acid;2-[1-[3-[[8-(cyclopropylmethyl)-4-(trifluoromethyl)-2H-1,3-benzoxazin-7-yl]oxy]propyl]indol-4-yl]oxy-2-methylpropanoic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-4-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-6-yl]oxyacetic acid (PubChem CID 158133591) has the molecular formula C148H144F6N6O25 and a molecular weight of 2520.78 g/mol. Its IUPAC name is 2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-6-yl]oxyacetic acid;2-[1-[3-[[8-(cyclopropylmethyl)-4-(trifluoromethyl)-2H-1,3-benzoxazin-7-yl]oxy]propyl]indol-4-yl]oxy-2-methylpropanoic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-4-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-6-yl]oxyacetic acid.

Molecular Properties

• Compound Name: 2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-6-yl]oxyacetic acid;2-[1-[3-[[8-(cyclopropylmethyl)-4-(trifluoromethyl)-2H-1,3-benzoxazin-7-yl]oxy]propyl]indol-4-yl]oxy-2-methylpropanoic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-4-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-6-yl]oxyacetic acid
• PubChem CID: 158133591
• Molecular Formula: C148H144F6N6O25
• Molecular Weight: 2520.78 g/mol
• Exact Mass: 2519.01
• IUPAC Name: 2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-6-yl]oxyacetic acid;2-[1-[3-[[8-(cyclopropylmethyl)-4-(trifluoromethyl)-2H-1,3-benzoxazin-7-yl]oxy]propyl]indol-4-yl]oxy-2-methylpropanoic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-4-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-6-yl]oxyacetic acid
• SMILES: CC(C)(Oc1cccc2c1ccn2CCCOc1ccc2c(c1CC1CC1)OCN=C2C(F)(F)F)C(=O)O.CCCc1c(OCCCn2ccc3ccc(OCC(=O)O)cc32)ccc2cc(C(=O)c3ccccc3)ccc12.CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCn1ccc2c(OCC(=O)O)cccc21.CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCn1ccc2cc(OCC(=O)O)ccc21.CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCn1ccc2ccc(OCC(=O)O)cc21
• InChI: InChI=1S/C33H31NO5.3C29H28FNO5.C28H29F3N2O5/c1-2-7-29-28-14-11-26(33(37)24-8-4-3-5-9-24)20-25(28)12-15-31(29)38-19-6-17-34-18-16-23-10-13-27(21-30(23)34)39-22-32(35)36;1-2-5-21-18-22(29(34)20-8-11-23(30)12-9-20)10-13-26(21)35-17-4-15-31-16-14-24-25(31)6-3-7-27(24)36-19-28(32)33;1-2-4-22-17-23(29(34)21-5-9-24(30)10-6-21)8-12-27(22)35-16-3-14-31-15-13-20-7-11-25(18-26(20)31)36-19-28(32)33;1-2-4-22-17-23(29(34)20-5-8-24(30)9-6-20)7-12-27(22)35-16-3-14-31-15-13-21-18-25(10-11-26(21)31)36-19-28(32)33;1-27(2,26(34)35)38-23-6-3-5-21-18(23)11-13-33(21)12-4-14-36-22-10-9-19-24(20(22)15-17-7-8-17)37-16-32-25(19)28(29,30)31/h3-5,8-16,18,20-21H,2,6-7,17,19,22H2,1H3,(H,35,36);3,6-14,16,18H,2,4-5,15,17,19H2,1H3,(H,32,33);2*5-13,15,17-18H,2-4,14,16,19H2,1H3,(H,32,33);3,5-6,9-11,13,17H,4,7-8,12,14-16H2,1-2H3,(H,34,35)
• InChIKey: FTBNXMDUVFZRRF-UHFFFAOYSA-N
• XLogP: 30.61
• TPSA: 393.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 58
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2520.78
LogP ≤ 5	30.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-6-yl]oxyacetic acid;2-[1-[3-[[8-(cyclopropylmethyl)-4-(trifluoromethyl)-2H-1,3-benzoxazin-7-yl]oxy]propyl]indol-4-yl]oxy-2-methylpropanoic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-4-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-6-yl]oxyacetic acid?

The IUPAC name of 2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-6-yl]oxyacetic acid;2-[1-[3-[[8-(cyclopropylmethyl)-4-(trifluoromethyl)-2H-1,3-benzoxazin-7-yl]oxy]propyl]indol-4-yl]oxy-2-methylpropanoic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-4-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-6-yl]oxyacetic acid (CID 158133591) is 2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-6-yl]oxyacetic acid;2-[1-[3-[[8-(cyclopropylmethyl)-4-(trifluoromethyl)-2H-1,3-benzoxazin-7-yl]oxy]propyl]indol-4-yl]oxy-2-methylpropanoic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-4-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-6-yl]oxyacetic acid.

What is the SMILES notation for 2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-6-yl]oxyacetic acid;2-[1-[3-[[8-(cyclopropylmethyl)-4-(trifluoromethyl)-2H-1,3-benzoxazin-7-yl]oxy]propyl]indol-4-yl]oxy-2-methylpropanoic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-4-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-6-yl]oxyacetic acid?

The canonical SMILES for 2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-6-yl]oxyacetic acid;2-[1-[3-[[8-(cyclopropylmethyl)-4-(trifluoromethyl)-2H-1,3-benzoxazin-7-yl]oxy]propyl]indol-4-yl]oxy-2-methylpropanoic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-4-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-6-yl]oxyacetic acid is CC(C)(Oc1cccc2c1ccn2CCCOc1ccc2c(c1CC1CC1)OCN=C2C(F)(F)F)C(=O)O.CCCc1c(OCCCn2ccc3ccc(OCC(=O)O)cc32)ccc2cc(C(=O)c3ccccc3)ccc12.CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCn1ccc2c(OCC(=O)O)cccc21.CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCn1ccc2cc(OCC(=O)O)ccc21.CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCn1ccc2ccc(OCC(=O)O)cc21.

What is the InChIKey of 2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-6-yl]oxyacetic acid;2-[1-[3-[[8-(cyclopropylmethyl)-4-(trifluoromethyl)-2H-1,3-benzoxazin-7-yl]oxy]propyl]indol-4-yl]oxy-2-methylpropanoic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-4-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-6-yl]oxyacetic acid?

The InChIKey is FTBNXMDUVFZRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31NO5.3C29H28FNO5.C28H29F3N2O5/c1-2-7-29-28-14-11-26(33(37)24-8-4-3-5-9-24)20-25(28)12-15-31(29)38-19-6-17-34-18-16-23-10-13-27(21-30(23)34)39-22-32(35)36;1-2-5-21-18-22(29(34)20-8-11-23(30)12-9-20)10-13-26(21)35-17-4-15-31-16-14-24-25(31)6-3-7-27(24)36-19-28(32)33;1-2-4-22-17-23(29(34)21-5-9-24(30)10-6-21)8-12-27(22)35-16-3-14-31-15-13-20-7-11-25(18-26(20)31)36-19-28(32)33;1-2-4-22-17-23(29(34)20-5-8-24(30)9-6-20)7-12-27(22)35-16-3-14-31-15-13-21-18-25(10-11-26(21)31)36-19-28(32)33;1-27(2,26(34)35)38-23-6-3-5-21-18(23)11-13-33(21)12-4-14-36-22-10-9-19-24(20(22)15-17-7-8-17)37-16-32-25(19)28(29,30)31/h3-5,8-16,18,20-21H,2,6-7,17,19,22H2,1H3,(H,35,36);3,6-14,16,18H,2,4-5,15,17,19H2,1H3,(H,32,33);2*5-13,15,17-18H,2-4,14,16,19H2,1H3,(H,32,33);3,5-6,9-11,13,17H,4,7-8,12,14-16H2,1-2H3,(H,34,35).

What are the key properties of 2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-6-yl]oxyacetic acid;2-[1-[3-[[8-(cyclopropylmethyl)-4-(trifluoromethyl)-2H-1,3-benzoxazin-7-yl]oxy]propyl]indol-4-yl]oxy-2-methylpropanoic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-4-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-6-yl]oxyacetic acid?

2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-6-yl]oxyacetic acid;2-[1-[3-[[8-(cyclopropylmethyl)-4-(trifluoromethyl)-2H-1,3-benzoxazin-7-yl]oxy]propyl]indol-4-yl]oxy-2-methylpropanoic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-4-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-6-yl]oxyacetic acid has a molecular weight of 2520.78 g/mol, XLogP of 30.61, 58 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropyl]indol-6-yl]oxyacetic acid;2-[1-[3-[[8-(cyclopropylmethyl)-4-(trifluoromethyl)-2H-1,3-benzoxazin-7-yl]oxy]propyl]indol-4-yl]oxy-2-methylpropanoic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-4-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-5-yl]oxyacetic acid;2-[1-[3-[4-(4-fluorobenzoyl)-2-propylphenoxy]propyl]indol-6-yl]oxyacetic acid is sourced from PubChem (CID 158133591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).