(4b,7-dimethyl-10-oxoindeno[1,2-b][1]benzofuran-9b-yl) acetate

C19H16O4 — CID 122606771

IUPAC(4b,7-dimethyl-10-oxoindeno[1,2-b][1]benzofuran-9b-yl) acetate
SMILESCC(=O)OC12C(=O)c3ccccc3C1(C)Oc1cc(C)ccc12
InChIInChI=1S/C19H16O4/c1-11-8-9-15-16(10-11)23-18(3)14-7-5-4-6-13(14)17(21)19(15,18)22-12(2)20/h4-10H,1-3H3
InChIKeyATLSJIQOZWRFOO-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.26
Rot. Bonds1

About (4b,7-dimethyl-10-oxoindeno[1,2-b][1]benzofuran-9b-yl) acetate

(4b,7-dimethyl-10-oxoindeno[1,2-b][1]benzofuran-9b-yl) acetate (PubChem CID 122606771) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is (4b,7-dimethyl-10-oxoindeno[1,2-b][1]benzofuran-9b-yl) acetate.

Molecular Properties

Compound Name(4b,7-dimethyl-10-oxoindeno[1,2-b][1]benzofuran-9b-yl) acetate
PubChem CID122606771
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name(4b,7-dimethyl-10-oxoindeno[1,2-b][1]benzofuran-9b-yl) acetate
SMILESCC(=O)OC12C(=O)c3ccccc3C1(C)Oc1cc(C)ccc12
InChIInChI=1S/C19H16O4/c1-11-8-9-15-16(10-11)23-18(3)14-7-5-4-6-13(14)17(21)19(15,18)22-12(2)20/h4-10H,1-3H3
InChIKeyATLSJIQOZWRFOO-UHFFFAOYSA-N
XLogP3.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate
CID 89432471
(2aR,7bS)-2a,5,7b-trimethyl-1H-cyclobuta[b][1]benzofuran-2-one
CID 11019939
[(5aS,10bS)-5a,10b-diacetyloxy-6-oxo-5H-indeno[2,1-b]indol-3-yl] acetate
CID 1269070
[10-oxo-4b-[(E)-3-phenylprop-2-enoyl]oxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl] (E)-3-phenylprop-2-enoate
CID 71487861
(5-amino-6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate
CID 58325865
(2-chloro-1,3-dioxoinden-2-yl) acetate
CID 12675777
2,2,6-trimethyl-1-benzofuran-3-one
CID 14470623
[1-[4-(diethylamino)-2-ethoxyphenyl]-3-oxo-2-benzofuran-1-yl] acetate
CID 19795572
2-(2,5-dimethylphenyl)-2-hydroxyindene-1,3-dione
CID 10730454
3'-methyl-6'-(2-methylpropoxy)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 159193234
[2-acetyloxy-3-(2-acetyloxy-1,3-dioxoinden-2-yl)-5-methylphenyl] acetate
CID 71476532
(2,5-dimethyl-1,3-dihydroinden-2-yl) acetate
CID 157223751

Frequently Asked Questions

What is the IUPAC name of (4b,7-dimethyl-10-oxoindeno[1,2-b][1]benzofuran-9b-yl) acetate?
The IUPAC name of (4b,7-dimethyl-10-oxoindeno[1,2-b][1]benzofuran-9b-yl) acetate (CID 122606771) is (4b,7-dimethyl-10-oxoindeno[1,2-b][1]benzofuran-9b-yl) acetate.
What is the SMILES notation for (4b,7-dimethyl-10-oxoindeno[1,2-b][1]benzofuran-9b-yl) acetate?
The canonical SMILES for (4b,7-dimethyl-10-oxoindeno[1,2-b][1]benzofuran-9b-yl) acetate is CC(=O)OC12C(=O)c3ccccc3C1(C)Oc1cc(C)ccc12.
What is the InChIKey of (4b,7-dimethyl-10-oxoindeno[1,2-b][1]benzofuran-9b-yl) acetate?
The InChIKey is ATLSJIQOZWRFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-11-8-9-15-16(10-11)23-18(3)14-7-5-4-6-13(14)17(21)19(15,18)22-12(2)20/h4-10H,1-3H3.
What are the key properties of (4b,7-dimethyl-10-oxoindeno[1,2-b][1]benzofuran-9b-yl) acetate?
(4b,7-dimethyl-10-oxoindeno[1,2-b][1]benzofuran-9b-yl) acetate has a molecular weight of 308.33 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4b,7-dimethyl-10-oxoindeno[1,2-b][1]benzofuran-9b-yl) acetate is sourced from PubChem (CID 122606771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).