(4bR,9bR)-9b-hydroxy-4b,9-dimethoxyindeno[1,2-b][1]benzofuran-10-one

C17H14O5 — CID 11426497

IUPAC(4bR,9bR)-9b-hydroxy-4b,9-dimethoxyindeno[1,2-b][1]benzofuran-10-one
SMILESCOc1cccc2c1[C@@]1(O)C(=O)c3ccccc3[C@@]1(OC)O2
InChIInChI=1S/C17H14O5/c1-20-12-8-5-9-13-14(12)16(19)15(18)10-6-3-4-7-11(10)17(16,21-2)22-13/h3-9,19H,1-2H3/t16-,17-/m1/s1
InChIKeyNZOBZCZBJQEDRC-IAGOWNOFSA-N
MW298.29 g/mol
LogP1.97
Rot. Bonds2

About (4bR,9bR)-9b-hydroxy-4b,9-dimethoxyindeno[1,2-b][1]benzofuran-10-one

(4bR,9bR)-9b-hydroxy-4b,9-dimethoxyindeno[1,2-b][1]benzofuran-10-one (PubChem CID 11426497) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is (4bR,9bR)-9b-hydroxy-4b,9-dimethoxyindeno[1,2-b][1]benzofuran-10-one.

Molecular Properties

Compound Name(4bR,9bR)-9b-hydroxy-4b,9-dimethoxyindeno[1,2-b][1]benzofuran-10-one
PubChem CID11426497
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name(4bR,9bR)-9b-hydroxy-4b,9-dimethoxyindeno[1,2-b][1]benzofuran-10-one
SMILESCOc1cccc2c1[C@@]1(O)C(=O)c3ccccc3[C@@]1(OC)O2
InChIInChI=1S/C17H14O5/c1-20-12-8-5-9-13-14(12)16(19)15(18)10-6-3-4-7-11(10)17(16,21-2)22-13/h3-9,19H,1-2H3/t16-,17-/m1/s1
InChIKeyNZOBZCZBJQEDRC-IAGOWNOFSA-N
XLogP1.97
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4bR,9bR)-9b-hydroxy-4b,9-dimethoxyindeno[1,2-b][1]benzofuran-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4bR,9bR)-4b,7,9b-trihydroxy-8-methoxy-5H-indeno[1,2-b]indol-10-one
CID 11077411
4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one
CID 71488537
1-amino-9b-hydroxy-4b-methoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
CID 138660555
6-tert-butyl-4b,9b-dihydroxyindeno[1,2-b][1]benzofuran-10-one
CID 71488536
7-methoxy-2,2-dimethyl-1-benzofuran-3-one
CID 14126647
2,2,3,3-tetrahydroxyinden-1-one
CID 141431232
(1S,2R,11S,12S)-2-hydroxy-1-methoxy-10,20-dioxapentacyclo[10.7.1.02,11.03,8.014,19]icosa-3,5,7,14,16,18-hexaene-9,13-dione
CID 155931100
3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one
CID 129396733
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-hydroxy-2,3-dimethoxychromen-4-one
CID 42605144
2-methoxy-2-methyl-1-benzofuran-3-one
CID 13400306
(4R,12R,18S,26S)-4,12,15,18,26-pentahydroxy-13,17-dioxaheptacyclo[14.10.0.03,14.04,12.06,11.018,26.019,24]hexacosa-1(16),2,6,8,10,14,19,21,23-nonaene-5,25-dione
CID 139080806
(2R,3R)-2-(3,4-dimethoxyphenyl)-2-hydroxy-3-methyl-3H-chromen-4-one
CID 22880444

Frequently Asked Questions

What is the IUPAC name of (4bR,9bR)-9b-hydroxy-4b,9-dimethoxyindeno[1,2-b][1]benzofuran-10-one?
The IUPAC name of (4bR,9bR)-9b-hydroxy-4b,9-dimethoxyindeno[1,2-b][1]benzofuran-10-one (CID 11426497) is (4bR,9bR)-9b-hydroxy-4b,9-dimethoxyindeno[1,2-b][1]benzofuran-10-one.
What is the SMILES notation for (4bR,9bR)-9b-hydroxy-4b,9-dimethoxyindeno[1,2-b][1]benzofuran-10-one?
The canonical SMILES for (4bR,9bR)-9b-hydroxy-4b,9-dimethoxyindeno[1,2-b][1]benzofuran-10-one is COc1cccc2c1[C@@]1(O)C(=O)c3ccccc3[C@@]1(OC)O2.
What is the InChIKey of (4bR,9bR)-9b-hydroxy-4b,9-dimethoxyindeno[1,2-b][1]benzofuran-10-one?
The InChIKey is NZOBZCZBJQEDRC-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H14O5/c1-20-12-8-5-9-13-14(12)16(19)15(18)10-6-3-4-7-11(10)17(16,21-2)22-13/h3-9,19H,1-2H3/t16-,17-/m1/s1.
What are the key properties of (4bR,9bR)-9b-hydroxy-4b,9-dimethoxyindeno[1,2-b][1]benzofuran-10-one?
(4bR,9bR)-9b-hydroxy-4b,9-dimethoxyindeno[1,2-b][1]benzofuran-10-one has a molecular weight of 298.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,9bR)-9b-hydroxy-4b,9-dimethoxyindeno[1,2-b][1]benzofuran-10-one is sourced from PubChem (CID 11426497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).