12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol

C₂₆H₃₄O₄ — CID 160728687

About 12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol

12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol (PubChem CID 160728687) has the molecular formula C₂₆H₃₄O₄ and a molecular weight of 410.55 g/mol. Its IUPAC name is 12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol.

Molecular Properties

• Compound Name: 12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol
• PubChem CID: 160728687
• Molecular Formula: C₂₆H₃₄O₄
• Molecular Weight: 410.55 g/mol
• Exact Mass: 410.25
• IUPAC Name: 12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol
• SMILES: CC.CC.CO.CO.c1ccc2c(c1)Cc1cc3c(cc1O2)Oc1ccccc1C3
• InChI: InChI=1S/C20H14O2.2C2H6.2CH4O/c1-3-7-17-13(5-1)9-15-11-16-10-14-6-2-4-8-18(14)22-20(16)12-19(15)21-17;4*1-2/h1-8,11-12H,9-10H2;2*1-2H3;2*2H,1H3
• InChIKey: RUAWYOABQRUKNF-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 58.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.55
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol?

The IUPAC name of 12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol (CID 160728687) is 12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol.

What is the SMILES notation for 12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol?

The canonical SMILES for 12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol is CC.CC.CO.CO.c1ccc2c(c1)Cc1cc3c(cc1O2)Oc1ccccc1C3.

What is the InChIKey of 12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol?

The InChIKey is RUAWYOABQRUKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2.2C2H6.2CH4O/c1-3-7-17-13(5-1)9-15-11-16-10-14-6-2-4-8-18(14)22-20(16)12-19(15)21-17;4*1-2/h1-8,11-12H,9-10H2;2*1-2H3;2*2H,1H3.

What are the key properties of 12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol?

12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol has a molecular weight of 410.55 g/mol, XLogP of 6.35, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol is sourced from PubChem (CID 160728687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160728687 — identifiers, structure, computed properties (public domain)

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