(2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-2-ol

C23H26N2O5 — CID 25495255

About (2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-2-ol

(2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-2-ol (PubChem CID 25495255) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is (2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-2-ol
• PubChem CID: 25495255
• Molecular Formula: C23H26N2O5
• Molecular Weight: 410.47 g/mol
• Exact Mass: 410.18
• IUPAC Name: (2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-2-ol
• SMILES: C=CCc1ccc(OC[C@H](O)Cn2c(C)nc3cc4c(cc32)OCCO4)c(OC)c1
• InChI: InChI=1S/C23H26N2O5/c1-4-5-16-6-7-20(21(10-16)27-3)30-14-17(26)13-25-15(2)24-18-11-22-23(12-19(18)25)29-9-8-28-22/h4,6-7,10-12,17,26H,1,5,8-9,13-14H2,2-3H3/t17-/m1/s1
• InChIKey: DLGAINUTZHNIBT-QGZVFWFLSA-N
• XLogP: 3.29
• TPSA: 74.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.47
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-2-ol?

The IUPAC name of (2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-2-ol (CID 25495255) is (2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-2-ol.

What is the SMILES notation for (2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-2-ol?

The canonical SMILES for (2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-2-ol is C=CCc1ccc(OC[C@H](O)Cn2c(C)nc3cc4c(cc32)OCCO4)c(OC)c1.

What is the InChIKey of (2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-2-ol?

The InChIKey is DLGAINUTZHNIBT-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-4-5-16-6-7-20(21(10-16)27-3)30-14-17(26)13-25-15(2)24-18-11-22-23(12-19(18)25)29-9-8-28-22/h4,6-7,10-12,17,26H,1,5,8-9,13-14H2,2-3H3/t17-/m1/s1.

What are the key properties of (2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-2-ol?

(2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-2-ol has a molecular weight of 410.47 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-2-ol is sourced from PubChem (CID 25495255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).