1-[1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]propyl]cyclopropane-1-carboxylic acid

C24H26O6 — CID 123503589

About 1-[1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]propyl]cyclopropane-1-carboxylic acid

1-[1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]propyl]cyclopropane-1-carboxylic acid (PubChem CID 123503589) has the molecular formula C24H26O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-[1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]propyl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-[1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]propyl]cyclopropane-1-carboxylic acid
• PubChem CID: 123503589
• Molecular Formula: C24H26O6
• Molecular Weight: 410.47 g/mol
• Exact Mass: 410.17
• IUPAC Name: 1-[1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]propyl]cyclopropane-1-carboxylic acid
• SMILES: CCC(Oc1c(-c2ccc3c(c2)CCC3=O)ccc(OC)c1OC)C1(C(=O)O)CC1
• InChI: InChI=1S/C24H26O6/c1-4-20(24(11-12-24)23(26)27)30-21-17(8-10-19(28-2)22(21)29-3)15-5-7-16-14(13-15)6-9-18(16)25/h5,7-8,10,13,20H,4,6,9,11-12H2,1-3H3,(H,26,27)
• InChIKey: YEUUHYGJOLZPIX-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 82.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.47
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]propyl]cyclopropane-1-carboxylic acid?

The IUPAC name of 1-[1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]propyl]cyclopropane-1-carboxylic acid (CID 123503589) is 1-[1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]propyl]cyclopropane-1-carboxylic acid.

What is the SMILES notation for 1-[1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]propyl]cyclopropane-1-carboxylic acid?

The canonical SMILES for 1-[1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]propyl]cyclopropane-1-carboxylic acid is CCC(Oc1c(-c2ccc3c(c2)CCC3=O)ccc(OC)c1OC)C1(C(=O)O)CC1.

What is the InChIKey of 1-[1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]propyl]cyclopropane-1-carboxylic acid?

The InChIKey is YEUUHYGJOLZPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O6/c1-4-20(24(11-12-24)23(26)27)30-21-17(8-10-19(28-2)22(21)29-3)15-5-7-16-14(13-15)6-9-18(16)25/h5,7-8,10,13,20H,4,6,9,11-12H2,1-3H3,(H,26,27).

What are the key properties of 1-[1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]propyl]cyclopropane-1-carboxylic acid?

1-[1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]propyl]cyclopropane-1-carboxylic acid has a molecular weight of 410.47 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]propyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 123503589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).