(8R,8aR)-8-hydroxy-3,5,8a-trimethyl-8,9-dihydro-7H-benzo[f][1]benzofuran-4,6-dione

C15H16O4 — CID 25147590

IUPAC(8R,8aR)-8-hydroxy-3,5,8a-trimethyl-8,9-dihydro-7H-benzo[f][1]benzofuran-4,6-dione
SMILESCC1=C2C(=O)c3c(C)coc3C[C@@]2(C)[C@H](O)CC1=O
InChIInChI=1S/C15H16O4/c1-7-6-19-10-5-15(3)11(17)4-9(16)8(2)13(15)14(18)12(7)10/h6,11,17H,4-5H2,1-3H3/t11-,15+/m1/s1
InChIKeyFMBVVKHYOPPYEC-ABAIWWIYSA-N
MW260.29 g/mol
LogP1.98
Rot. Bonds

About (8R,8aR)-8-hydroxy-3,5,8a-trimethyl-8,9-dihydro-7H-benzo[f][1]benzofuran-4,6-dione

(8R,8aR)-8-hydroxy-3,5,8a-trimethyl-8,9-dihydro-7H-benzo[f][1]benzofuran-4,6-dione (PubChem CID 25147590) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is (8R,8aR)-8-hydroxy-3,5,8a-trimethyl-8,9-dihydro-7H-benzo[f][1]benzofuran-4,6-dione.

Molecular Properties

Compound Name(8R,8aR)-8-hydroxy-3,5,8a-trimethyl-8,9-dihydro-7H-benzo[f][1]benzofuran-4,6-dione
PubChem CID25147590
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name(8R,8aR)-8-hydroxy-3,5,8a-trimethyl-8,9-dihydro-7H-benzo[f][1]benzofuran-4,6-dione
SMILESCC1=C2C(=O)c3c(C)coc3C[C@@]2(C)[C@H](O)CC1=O
InChIInChI=1S/C15H16O4/c1-7-6-19-10-5-15(3)11(17)4-9(16)8(2)13(15)14(18)12(7)10/h6,11,17H,4-5H2,1-3H3/t11-,15+/m1/s1
InChIKeyFMBVVKHYOPPYEC-ABAIWWIYSA-N
XLogP1.98
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8R,8aR)-8-hydroxy-3,5,8a-trimethyl-8,9-dihydro-7H-benzo[f][1]benzofuran-4,6-dione?
The IUPAC name of (8R,8aR)-8-hydroxy-3,5,8a-trimethyl-8,9-dihydro-7H-benzo[f][1]benzofuran-4,6-dione (CID 25147590) is (8R,8aR)-8-hydroxy-3,5,8a-trimethyl-8,9-dihydro-7H-benzo[f][1]benzofuran-4,6-dione.
What is the SMILES notation for (8R,8aR)-8-hydroxy-3,5,8a-trimethyl-8,9-dihydro-7H-benzo[f][1]benzofuran-4,6-dione?
The canonical SMILES for (8R,8aR)-8-hydroxy-3,5,8a-trimethyl-8,9-dihydro-7H-benzo[f][1]benzofuran-4,6-dione is CC1=C2C(=O)c3c(C)coc3C[C@@]2(C)[C@H](O)CC1=O.
What is the InChIKey of (8R,8aR)-8-hydroxy-3,5,8a-trimethyl-8,9-dihydro-7H-benzo[f][1]benzofuran-4,6-dione?
The InChIKey is FMBVVKHYOPPYEC-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H16O4/c1-7-6-19-10-5-15(3)11(17)4-9(16)8(2)13(15)14(18)12(7)10/h6,11,17H,4-5H2,1-3H3/t11-,15+/m1/s1.
What are the key properties of (8R,8aR)-8-hydroxy-3,5,8a-trimethyl-8,9-dihydro-7H-benzo[f][1]benzofuran-4,6-dione?
(8R,8aR)-8-hydroxy-3,5,8a-trimethyl-8,9-dihydro-7H-benzo[f][1]benzofuran-4,6-dione has a molecular weight of 260.29 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,8aR)-8-hydroxy-3,5,8a-trimethyl-8,9-dihydro-7H-benzo[f][1]benzofuran-4,6-dione is sourced from PubChem (CID 25147590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).