9b-hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one

C15H20O3 — CID 14707743

IUPAC9b-hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one
SMILESC=C1C(C)CCC2(C)C1CC=C1C(=O)OCC12O
InChIInChI=1S/C15H20O3/c1-9-6-7-14(3)11(10(9)2)4-5-12-13(16)18-8-15(12,14)17/h5,9,11,17H,2,4,6-8H2,1,3H3
InChIKeyOUBGLUCJLDERNN-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.21
Rot. Bonds

About 9b-hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one

9b-hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one (PubChem CID 14707743) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 9b-hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one.

Molecular Properties

Compound Name9b-hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one
PubChem CID14707743
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name9b-hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one
SMILESC=C1C(C)CCC2(C)C1CC=C1C(=O)OCC12O
InChIInChI=1S/C15H20O3/c1-9-6-7-14(3)11(10(9)2)4-5-12-13(16)18-8-15(12,14)17/h5,9,11,17H,2,4,6-8H2,1,3H3
InChIKeyOUBGLUCJLDERNN-UHFFFAOYSA-N
XLogP2.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 9b-hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9b-hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one?
The IUPAC name of 9b-hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one (CID 14707743) is 9b-hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one.
What is the SMILES notation for 9b-hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one?
The canonical SMILES for 9b-hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one is C=C1C(C)CCC2(C)C1CC=C1C(=O)OCC12O.
What is the InChIKey of 9b-hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one?
The InChIKey is OUBGLUCJLDERNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-9-6-7-14(3)11(10(9)2)4-5-12-13(16)18-8-15(12,14)17/h5,9,11,17H,2,4,6-8H2,1,3H3.
What are the key properties of 9b-hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one?
9b-hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one has a molecular weight of 248.32 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one is sourced from PubChem (CID 14707743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).