4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one

C18H16O4 — CID 71488537

IUPAC4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one
SMILESCc1cc2c(c(C)c1C)C1(O)C(=O)c3ccccc3C1(O)O2
InChIInChI=1S/C18H16O4/c1-9-8-14-15(11(3)10(9)2)17(20)16(19)12-6-4-5-7-13(12)18(17,21)22-14/h4-8,20-21H,1-3H3
InChIKeyOAIHCJACHQGUTN-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.23
Rot. Bonds

About 4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one

4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one (PubChem CID 71488537) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one.

Molecular Properties

Compound Name4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one
PubChem CID71488537
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one
SMILESCc1cc2c(c(C)c1C)C1(O)C(=O)c3ccccc3C1(O)O2
InChIInChI=1S/C18H16O4/c1-9-8-14-15(11(3)10(9)2)17(20)16(19)12-6-4-5-7-13(12)18(17,21)22-14/h4-8,20-21H,1-3H3
InChIKeyOAIHCJACHQGUTN-UHFFFAOYSA-N
XLogP2.23
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one?
The IUPAC name of 4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one (CID 71488537) is 4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one.
What is the SMILES notation for 4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one?
The canonical SMILES for 4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one is Cc1cc2c(c(C)c1C)C1(O)C(=O)c3ccccc3C1(O)O2.
What is the InChIKey of 4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one?
The InChIKey is OAIHCJACHQGUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-9-8-14-15(11(3)10(9)2)17(20)16(19)12-6-4-5-7-13(12)18(17,21)22-14/h4-8,20-21H,1-3H3.
What are the key properties of 4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one?
4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one has a molecular weight of 296.32 g/mol, XLogP of 2.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one is sourced from PubChem (CID 71488537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).