2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromen-10-ol

C12H14O3 — CID 66825100

IUPAC2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromen-10-ol
SMILESOC1=C2OCCCC2OC2CC=CC=C12
InChIInChI=1S/C12H14O3/c13-11-8-4-1-2-5-9(8)15-10-6-3-7-14-12(10)11/h1-2,4,9-10,13H,3,5-7H2
InChIKeyRNJYBZFANGDXCH-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.22
Rot. Bonds

About 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromen-10-ol

2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromen-10-ol (PubChem CID 66825100) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromen-10-ol.

Molecular Properties

Compound Name2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromen-10-ol
PubChem CID66825100
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromen-10-ol
SMILESOC1=C2OCCCC2OC2CC=CC=C12
InChIInChI=1S/C12H14O3/c13-11-8-4-1-2-5-9(8)15-10-6-3-7-14-12(10)11/h1-2,4,9-10,13H,3,5-7H2
InChIKeyRNJYBZFANGDXCH-UHFFFAOYSA-N
XLogP2.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromen-10-ol?
The IUPAC name of 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromen-10-ol (CID 66825100) is 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromen-10-ol.
What is the SMILES notation for 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromen-10-ol?
The canonical SMILES for 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromen-10-ol is OC1=C2OCCCC2OC2CC=CC=C12.
What is the InChIKey of 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromen-10-ol?
The InChIKey is RNJYBZFANGDXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-11-8-4-1-2-5-9(8)15-10-6-3-7-14-12(10)11/h1-2,4,9-10,13H,3,5-7H2.
What are the key properties of 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromen-10-ol?
2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromen-10-ol has a molecular weight of 206.24 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5a,6-hexahydropyrano[3,2-b]chromen-10-ol is sourced from PubChem (CID 66825100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).