2-ethoxy-4-phenyl-1,2,5,10b-tetrahydropyrano[3,4-c]chromene

C20H20O3 — CID 13361004

IUPAC2-ethoxy-4-phenyl-1,2,5,10b-tetrahydropyrano[3,4-c]chromene
SMILESCCOC1CC2C(=C(c3ccccc3)O1)COc1ccccc12
InChIInChI=1S/C20H20O3/c1-2-21-19-12-16-15-10-6-7-11-18(15)22-13-17(16)20(23-19)14-8-4-3-5-9-14/h3-11,16,19H,2,12-13H2,1H3
InChIKeyPACMKLGEWKPFRV-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.36
Rot. Bonds3

About 2-ethoxy-4-phenyl-1,2,5,10b-tetrahydropyrano[3,4-c]chromene

2-ethoxy-4-phenyl-1,2,5,10b-tetrahydropyrano[3,4-c]chromene (PubChem CID 13361004) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-ethoxy-4-phenyl-1,2,5,10b-tetrahydropyrano[3,4-c]chromene.

Molecular Properties

Compound Name2-ethoxy-4-phenyl-1,2,5,10b-tetrahydropyrano[3,4-c]chromene
PubChem CID13361004
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name2-ethoxy-4-phenyl-1,2,5,10b-tetrahydropyrano[3,4-c]chromene
SMILESCCOC1CC2C(=C(c3ccccc3)O1)COc1ccccc12
InChIInChI=1S/C20H20O3/c1-2-21-19-12-16-15-10-6-7-11-18(15)22-13-17(16)20(23-19)14-8-4-3-5-9-14/h3-11,16,19H,2,12-13H2,1H3
InChIKeyPACMKLGEWKPFRV-UHFFFAOYSA-N
XLogP4.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-phenyl-1,2,5,10b-tetrahydropyrano[3,4-c]chromene?
The IUPAC name of 2-ethoxy-4-phenyl-1,2,5,10b-tetrahydropyrano[3,4-c]chromene (CID 13361004) is 2-ethoxy-4-phenyl-1,2,5,10b-tetrahydropyrano[3,4-c]chromene.
What is the SMILES notation for 2-ethoxy-4-phenyl-1,2,5,10b-tetrahydropyrano[3,4-c]chromene?
The canonical SMILES for 2-ethoxy-4-phenyl-1,2,5,10b-tetrahydropyrano[3,4-c]chromene is CCOC1CC2C(=C(c3ccccc3)O1)COc1ccccc12.
What is the InChIKey of 2-ethoxy-4-phenyl-1,2,5,10b-tetrahydropyrano[3,4-c]chromene?
The InChIKey is PACMKLGEWKPFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-2-21-19-12-16-15-10-6-7-11-18(15)22-13-17(16)20(23-19)14-8-4-3-5-9-14/h3-11,16,19H,2,12-13H2,1H3.
What are the key properties of 2-ethoxy-4-phenyl-1,2,5,10b-tetrahydropyrano[3,4-c]chromene?
2-ethoxy-4-phenyl-1,2,5,10b-tetrahydropyrano[3,4-c]chromene has a molecular weight of 308.38 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-phenyl-1,2,5,10b-tetrahydropyrano[3,4-c]chromene is sourced from PubChem (CID 13361004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).