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

C26H34O4 — CID 160728687

IUPAC12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol
SMILESCC.CC.CO.CO.c1ccc2c(c1)Cc1cc3c(cc1O2)Oc1ccccc1C3
InChIInChI=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
InChIKeyRUAWYOABQRUKNF-UHFFFAOYSA-N
MW410.55 g/mol
LogP6.35
Rot. Bonds

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 Name12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol
PubChem CID160728687
Molecular FormulaC26H34O4
Molecular Weight410.55 g/mol
Exact Mass410.25
IUPAC Name12,14-dihydrochromeno[3,2-b]xanthene;ethane;methanol
SMILESCC.CC.CO.CO.c1ccc2c(c1)Cc1cc3c(cc1O2)Oc1ccccc1C3
InChIInChI=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
InChIKeyRUAWYOABQRUKNF-UHFFFAOYSA-N
XLogP6.35
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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).