2-[4-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propyl]phenoxy]-2-methylpropanoic acid

C26H34O5 — CID 15229896

About 2-[4-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propyl]phenoxy]-2-methylpropanoic acid

2-[4-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propyl]phenoxy]-2-methylpropanoic acid (PubChem CID 15229896) has the molecular formula C26H34O5 and a molecular weight of 426.55 g/mol. Its IUPAC name is 2-[4-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propyl]phenoxy]-2-methylpropanoic acid.

Molecular Properties

• Compound Name: 2-[4-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propyl]phenoxy]-2-methylpropanoic acid
• PubChem CID: 15229896
• Molecular Formula: C26H34O5
• Molecular Weight: 426.55 g/mol
• Exact Mass: 426.24
• IUPAC Name: 2-[4-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propyl]phenoxy]-2-methylpropanoic acid
• SMILES: Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCc1ccc(OC(C)(C)C(=O)O)cc1)O2
• InChI: InChI=1S/C26H34O5/c1-16-17(2)23-21(18(3)22(16)27)13-15-26(6,31-23)14-7-8-19-9-11-20(12-10-19)30-25(4,5)24(28)29/h9-12,27H,7-8,13-15H2,1-6H3,(H,28,29)
• InChIKey: PGVSPMOYIOVNPR-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 75.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.55
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propyl]phenoxy]-2-methylpropanoic acid?

The IUPAC name of 2-[4-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propyl]phenoxy]-2-methylpropanoic acid (CID 15229896) is 2-[4-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propyl]phenoxy]-2-methylpropanoic acid.

What is the SMILES notation for 2-[4-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propyl]phenoxy]-2-methylpropanoic acid?

The canonical SMILES for 2-[4-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propyl]phenoxy]-2-methylpropanoic acid is Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCc1ccc(OC(C)(C)C(=O)O)cc1)O2.

What is the InChIKey of 2-[4-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propyl]phenoxy]-2-methylpropanoic acid?

The InChIKey is PGVSPMOYIOVNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O5/c1-16-17(2)23-21(18(3)22(16)27)13-15-26(6,31-23)14-7-8-19-9-11-20(12-10-19)30-25(4,5)24(28)29/h9-12,27H,7-8,13-15H2,1-6H3,(H,28,29).

What are the key properties of 2-[4-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propyl]phenoxy]-2-methylpropanoic acid?

2-[4-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propyl]phenoxy]-2-methylpropanoic acid has a molecular weight of 426.55 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propyl]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 15229896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).