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

C12H14O3 — CID 134691344

IUPAC2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-6-ol
SMILESOc1cccc2c1CC1CCCOC1O2
InChIInChI=1S/C12H14O3/c13-10-4-1-5-11-9(10)7-8-3-2-6-14-12(8)15-11/h1,4-5,8,12-13H,2-3,6-7H2
InChIKeyRNYAPUMSKACLMG-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.08
Rot. Bonds

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

2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-6-ol (PubChem CID 134691344) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-6-ol.

Molecular Properties

Compound Name2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-6-ol
PubChem CID134691344
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-6-ol
SMILESOc1cccc2c1CC1CCCOC1O2
InChIInChI=1S/C12H14O3/c13-10-4-1-5-11-9(10)7-8-3-2-6-14-12(8)15-11/h1,4-5,8,12-13H,2-3,6-7H2
InChIKeyRNYAPUMSKACLMG-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
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,5,10a-hexahydropyrano[2,3-b]chromen-6-ol?
The IUPAC name of 2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-6-ol (CID 134691344) is 2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-6-ol.
What is the SMILES notation for 2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-6-ol?
The canonical SMILES for 2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-6-ol is Oc1cccc2c1CC1CCCOC1O2.
What is the InChIKey of 2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-6-ol?
The InChIKey is RNYAPUMSKACLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-10-4-1-5-11-9(10)7-8-3-2-6-14-12(8)15-11/h1,4-5,8,12-13H,2-3,6-7H2.
What are the key properties of 2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-6-ol?
2,3,4,4a,5,10a-hexahydropyrano[2,3-b]chromen-6-ol has a molecular weight of 206.24 g/mol, XLogP of 2.08, 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,5,10a-hexahydropyrano[2,3-b]chromen-6-ol is sourced from PubChem (CID 134691344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).