2-[6-methoxy-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-inden-1-yl]acetic acid

C25H32O6 — CID 154383415

About 2-[6-methoxy-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-inden-1-yl]acetic acid

2-[6-methoxy-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-inden-1-yl]acetic acid (PubChem CID 154383415) has the molecular formula C25H32O6 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-[6-methoxy-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-inden-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[6-methoxy-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-inden-1-yl]acetic acid
• PubChem CID: 154383415
• Molecular Formula: C25H32O6
• Molecular Weight: 428.53 g/mol
• Exact Mass: 428.22
• IUPAC Name: 2-[6-methoxy-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-inden-1-yl]acetic acid
• SMILES: CCCOc1ccc(C2CC(CC(=O)O)c3cc(OC)c(OCCC)cc32)cc1OC
• InChI: InChI=1S/C25H32O6/c1-5-9-30-21-8-7-16(12-22(21)28-3)18-11-17(13-25(26)27)19-14-23(29-4)24(15-20(18)19)31-10-6-2/h7-8,12,14-15,17-18H,5-6,9-11,13H2,1-4H3,(H,26,27)
• InChIKey: RFUIIRSHNWTWIY-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 74.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.53
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-inden-1-yl]acetic acid?

The IUPAC name of 2-[6-methoxy-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-inden-1-yl]acetic acid (CID 154383415) is 2-[6-methoxy-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-inden-1-yl]acetic acid.

What is the SMILES notation for 2-[6-methoxy-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-inden-1-yl]acetic acid?

The canonical SMILES for 2-[6-methoxy-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-inden-1-yl]acetic acid is CCCOc1ccc(C2CC(CC(=O)O)c3cc(OC)c(OCCC)cc32)cc1OC.

What is the InChIKey of 2-[6-methoxy-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-inden-1-yl]acetic acid?

The InChIKey is RFUIIRSHNWTWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O6/c1-5-9-30-21-8-7-16(12-22(21)28-3)18-11-17(13-25(26)27)19-14-23(29-4)24(15-20(18)19)31-10-6-2/h7-8,12,14-15,17-18H,5-6,9-11,13H2,1-4H3,(H,26,27).

What are the key properties of 2-[6-methoxy-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-inden-1-yl]acetic acid?

2-[6-methoxy-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-inden-1-yl]acetic acid has a molecular weight of 428.53 g/mol, XLogP of 5.38, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-methoxy-3-(3-methoxy-4-propoxyphenyl)-5-propoxy-2,3-dihydro-1H-inden-1-yl]acetic acid is sourced from PubChem (CID 154383415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).