(5aS,9aR)-9a-hydroxy-2,3,4,5a,6,7,8,9-octahydrodibenzofuran-1-one

C12H16O3 — CID 163439614

IUPAC(5aS,9aR)-9a-hydroxy-2,3,4,5a,6,7,8,9-octahydrodibenzofuran-1-one
SMILESO=C1CCCC2=C1[C@]1(O)CCCC[C@@H]1O2
InChIInChI=1S/C12H16O3/c13-8-4-3-5-9-11(8)12(14)7-2-1-6-10(12)15-9/h10,14H,1-7H2/t10-,12-/m0/s1
InChIKeyAXKBZGPNDDZLBR-JQWIXIFHSA-N
MW208.26 g/mol
LogP1.70
Rot. Bonds

About (5aS,9aR)-9a-hydroxy-2,3,4,5a,6,7,8,9-octahydrodibenzofuran-1-one

(5aS,9aR)-9a-hydroxy-2,3,4,5a,6,7,8,9-octahydrodibenzofuran-1-one (PubChem CID 163439614) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (5aS,9aR)-9a-hydroxy-2,3,4,5a,6,7,8,9-octahydrodibenzofuran-1-one.

Molecular Properties

Compound Name(5aS,9aR)-9a-hydroxy-2,3,4,5a,6,7,8,9-octahydrodibenzofuran-1-one
PubChem CID163439614
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(5aS,9aR)-9a-hydroxy-2,3,4,5a,6,7,8,9-octahydrodibenzofuran-1-one
SMILESO=C1CCCC2=C1[C@]1(O)CCCC[C@@H]1O2
InChIInChI=1S/C12H16O3/c13-8-4-3-5-9-11(8)12(14)7-2-1-6-10(12)15-9/h10,14H,1-7H2/t10-,12-/m0/s1
InChIKeyAXKBZGPNDDZLBR-JQWIXIFHSA-N
XLogP1.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5aS,9aR)-9a-hydroxy-2,3,4,5a,6,7,8,9-octahydrodibenzofuran-1-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

3-Hydroxy-3,6-dimethyl-2,5,6,7-tetrahydro-1-benzofuran-4-one
CID 59969146
(5aS,9aR)-9a-hydroxy-3,3-dimethyl-4,5a,6,7,8,9-hexahydro-2H-dibenzofuran-1-one
CID 132528171
1-(4-Hydroxy-2-methyl-1-oxaspiro[4.5]dec-2-en-3-yl)ethanone
CID 177512767

Frequently Asked Questions

What is the IUPAC name of (5aS,9aR)-9a-hydroxy-2,3,4,5a,6,7,8,9-octahydrodibenzofuran-1-one?
The IUPAC name of (5aS,9aR)-9a-hydroxy-2,3,4,5a,6,7,8,9-octahydrodibenzofuran-1-one (CID 163439614) is (5aS,9aR)-9a-hydroxy-2,3,4,5a,6,7,8,9-octahydrodibenzofuran-1-one.
What is the SMILES notation for (5aS,9aR)-9a-hydroxy-2,3,4,5a,6,7,8,9-octahydrodibenzofuran-1-one?
The canonical SMILES for (5aS,9aR)-9a-hydroxy-2,3,4,5a,6,7,8,9-octahydrodibenzofuran-1-one is O=C1CCCC2=C1[C@]1(O)CCCC[C@@H]1O2.
What is the InChIKey of (5aS,9aR)-9a-hydroxy-2,3,4,5a,6,7,8,9-octahydrodibenzofuran-1-one?
The InChIKey is AXKBZGPNDDZLBR-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H16O3/c13-8-4-3-5-9-11(8)12(14)7-2-1-6-10(12)15-9/h10,14H,1-7H2/t10-,12-/m0/s1.
What are the key properties of (5aS,9aR)-9a-hydroxy-2,3,4,5a,6,7,8,9-octahydrodibenzofuran-1-one?
(5aS,9aR)-9a-hydroxy-2,3,4,5a,6,7,8,9-octahydrodibenzofuran-1-one has a molecular weight of 208.26 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,9aR)-9a-hydroxy-2,3,4,5a,6,7,8,9-octahydrodibenzofuran-1-one is sourced from PubChem (CID 163439614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).