6-tert-butyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one

C19H18O4 — CID 71488536

IUPAC6-tert-butyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one
SMILESCC(C)(C)c1cccc2c1OC1(O)c3ccccc3C(=O)C21O
InChIInChI=1S/C19H18O4/c1-17(2,3)13-9-6-10-14-15(13)23-19(22)12-8-5-4-7-11(12)16(20)18(14,19)21/h4-10,21-22H,1-3H3
InChIKeyCJTLJVAPCUTPBZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.61
Rot. Bonds

About 6-tert-butyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one

6-tert-butyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one (PubChem CID 71488536) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6-tert-butyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one.

Molecular Properties

Compound Name6-tert-butyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one
PubChem CID71488536
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name6-tert-butyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one
SMILESCC(C)(C)c1cccc2c1OC1(O)c3ccccc3C(=O)C21O
InChIInChI=1S/C19H18O4/c1-17(2,3)13-9-6-10-14-15(13)23-19(22)12-8-5-4-7-11(12)16(20)18(14,19)21/h4-10,21-22H,1-3H3
InChIKeyCJTLJVAPCUTPBZ-UHFFFAOYSA-N
XLogP2.61
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one?
The IUPAC name of 6-tert-butyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one (CID 71488536) is 6-tert-butyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one.
What is the SMILES notation for 6-tert-butyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one?
The canonical SMILES for 6-tert-butyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one is CC(C)(C)c1cccc2c1OC1(O)c3ccccc3C(=O)C21O.
What is the InChIKey of 6-tert-butyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one?
The InChIKey is CJTLJVAPCUTPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-17(2,3)13-9-6-10-14-15(13)23-19(22)12-8-5-4-7-11(12)16(20)18(14,19)21/h4-10,21-22H,1-3H3.
What are the key properties of 6-tert-butyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one?
6-tert-butyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one has a molecular weight of 310.35 g/mol, XLogP of 2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one is sourced from PubChem (CID 71488536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).