5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one

C15H18O4 — CID 11623082

IUPAC5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one
SMILESCC1Cc2cc3c(c(O)c2C(=O)O1)CCC(C)(C)O3
InChIInChI=1S/C15H18O4/c1-8-6-9-7-11-10(4-5-15(2,3)19-11)13(16)12(9)14(17)18-8/h7-8,16H,4-6H2,1-3H3
InChIKeyCXCVRNVJEQJAAZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.60
Rot. Bonds

About 5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one

5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one (PubChem CID 11623082) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one.

Molecular Properties

Compound Name5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one
PubChem CID11623082
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one
SMILESCC1Cc2cc3c(c(O)c2C(=O)O1)CCC(C)(C)O3
InChIInChI=1S/C15H18O4/c1-8-6-9-7-11-10(4-5-15(2,3)19-11)13(16)12(9)14(17)18-8/h7-8,16H,4-6H2,1-3H3
InChIKeyCXCVRNVJEQJAAZ-UHFFFAOYSA-N
XLogP2.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one?
The IUPAC name of 5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one (CID 11623082) is 5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one.
What is the SMILES notation for 5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one?
The canonical SMILES for 5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one is CC1Cc2cc3c(c(O)c2C(=O)O1)CCC(C)(C)O3.
What is the InChIKey of 5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one?
The InChIKey is CXCVRNVJEQJAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-8-6-9-7-11-10(4-5-15(2,3)19-11)13(16)12(9)14(17)18-8/h7-8,16H,4-6H2,1-3H3.
What are the key properties of 5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one?
5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one has a molecular weight of 262.31 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2,8-trimethyl-3,4,8,9-tetrahydropyrano[3,4-g]chromen-6-one is sourced from PubChem (CID 11623082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).