3,4,8,14-tetrahydrochromeno[2,3-a]xanthene

C20H16O2 — CID 70993533

IUPAC3,4,8,14-tetrahydrochromeno[2,3-a]xanthene
SMILESC1=CC2=C(CC1)Oc1ccc3c(c1C2)Oc1ccccc1C3
InChIInChI=1S/C20H16O2/c1-4-8-18-13(5-1)11-15-9-10-19-16(20(15)22-18)12-14-6-2-3-7-17(14)21-19/h1-2,4-6,8-10H,3,7,11-12H2
InChIKeyXVACWPQLVJGWJQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.92
Rot. Bonds

About 3,4,8,14-tetrahydrochromeno[2,3-a]xanthene

3,4,8,14-tetrahydrochromeno[2,3-a]xanthene (PubChem CID 70993533) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3,4,8,14-tetrahydrochromeno[2,3-a]xanthene.

Molecular Properties

Compound Name3,4,8,14-tetrahydrochromeno[2,3-a]xanthene
PubChem CID70993533
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name3,4,8,14-tetrahydrochromeno[2,3-a]xanthene
SMILESC1=CC2=C(CC1)Oc1ccc3c(c1C2)Oc1ccccc1C3
InChIInChI=1S/C20H16O2/c1-4-8-18-13(5-1)11-15-9-10-19-16(20(15)22-18)12-14-6-2-3-7-17(14)21-19/h1-2,4-6,8-10H,3,7,11-12H2
InChIKeyXVACWPQLVJGWJQ-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,8,14-tetrahydrochromeno[2,3-a]xanthene?
The IUPAC name of 3,4,8,14-tetrahydrochromeno[2,3-a]xanthene (CID 70993533) is 3,4,8,14-tetrahydrochromeno[2,3-a]xanthene.
What is the SMILES notation for 3,4,8,14-tetrahydrochromeno[2,3-a]xanthene?
The canonical SMILES for 3,4,8,14-tetrahydrochromeno[2,3-a]xanthene is C1=CC2=C(CC1)Oc1ccc3c(c1C2)Oc1ccccc1C3.
What is the InChIKey of 3,4,8,14-tetrahydrochromeno[2,3-a]xanthene?
The InChIKey is XVACWPQLVJGWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c1-4-8-18-13(5-1)11-15-9-10-19-16(20(15)22-18)12-14-6-2-3-7-17(14)21-19/h1-2,4-6,8-10H,3,7,11-12H2.
What are the key properties of 3,4,8,14-tetrahydrochromeno[2,3-a]xanthene?
3,4,8,14-tetrahydrochromeno[2,3-a]xanthene has a molecular weight of 288.35 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,8,14-tetrahydrochromeno[2,3-a]xanthene is sourced from PubChem (CID 70993533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).