2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-propyl-2,3-dihydro-1H-inden-5-yl]oxan-4-ol

C26H34O4 — CID 155031713

About 2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-propyl-2,3-dihydro-1H-inden-5-yl]oxan-4-ol

2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-propyl-2,3-dihydro-1H-inden-5-yl]oxan-4-ol (PubChem CID 155031713) has the molecular formula C26H34O4 and a molecular weight of 410.55 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-propyl-2,3-dihydro-1H-inden-5-yl]oxan-4-ol.

Molecular Properties

• Compound Name: 2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-propyl-2,3-dihydro-1H-inden-5-yl]oxan-4-ol
• PubChem CID: 155031713
• Molecular Formula: C26H34O4
• Molecular Weight: 410.55 g/mol
• Exact Mass: 410.25
• IUPAC Name: 2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-propyl-2,3-dihydro-1H-inden-5-yl]oxan-4-ol
• SMILES: CCCc1c(C2CC(O)CC(CO)O2)cc(Cc2ccc(OC)cc2)c2c1CCC2
• InChI: InChI=1S/C26H34O4/c1-3-5-23-24-7-4-6-22(24)18(12-17-8-10-20(29-2)11-9-17)13-25(23)26-15-19(28)14-21(16-27)30-26/h8-11,13,19,21,26-28H,3-7,12,14-16H2,1-2H3
• InChIKey: YZUOSNXHTLZKQJ-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 58.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.55
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-propyl-2,3-dihydro-1H-inden-5-yl]oxan-4-ol?

The IUPAC name of 2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-propyl-2,3-dihydro-1H-inden-5-yl]oxan-4-ol (CID 155031713) is 2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-propyl-2,3-dihydro-1H-inden-5-yl]oxan-4-ol.

What is the SMILES notation for 2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-propyl-2,3-dihydro-1H-inden-5-yl]oxan-4-ol?

The canonical SMILES for 2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-propyl-2,3-dihydro-1H-inden-5-yl]oxan-4-ol is CCCc1c(C2CC(O)CC(CO)O2)cc(Cc2ccc(OC)cc2)c2c1CCC2.

What is the InChIKey of 2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-propyl-2,3-dihydro-1H-inden-5-yl]oxan-4-ol?

The InChIKey is YZUOSNXHTLZKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O4/c1-3-5-23-24-7-4-6-22(24)18(12-17-8-10-20(29-2)11-9-17)13-25(23)26-15-19(28)14-21(16-27)30-26/h8-11,13,19,21,26-28H,3-7,12,14-16H2,1-2H3.

What are the key properties of 2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-propyl-2,3-dihydro-1H-inden-5-yl]oxan-4-ol?

2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-propyl-2,3-dihydro-1H-inden-5-yl]oxan-4-ol has a molecular weight of 410.55 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-propyl-2,3-dihydro-1H-inden-5-yl]oxan-4-ol is sourced from PubChem (CID 155031713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).