2,7-dihydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one

C16H24O4 — CID 163046940

IUPAC2,7-dihydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one
SMILESCC1CCC2C(C=CC3COC(C)(O)C(=O)C32C)C1O
InChIInChI=1S/C16H24O4/c1-9-4-7-12-11(13(9)17)6-5-10-8-20-16(3,19)14(18)15(10,12)2/h5-6,9-13,17,19H,4,7-8H2,1-3H3
InChIKeyZVEYAIMRDBXWPO-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.51
Rot. Bonds

About 2,7-dihydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one

2,7-dihydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one (PubChem CID 163046940) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 2,7-dihydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one.

Molecular Properties

Compound Name2,7-dihydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one
PubChem CID163046940
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name2,7-dihydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one
SMILESCC1CCC2C(C=CC3COC(C)(O)C(=O)C32C)C1O
InChIInChI=1S/C16H24O4/c1-9-4-7-12-11(13(9)17)6-5-10-8-20-16(3,19)14(18)15(10,12)2/h5-6,9-13,17,19H,4,7-8H2,1-3H3
InChIKeyZVEYAIMRDBXWPO-UHFFFAOYSA-N
XLogP1.51
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,7-dihydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-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

Oblongolide X
CID 44627606
Oblongolide T
CID 44471975
CID 44627607
CID 44627607
(1S,4aR,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-3'-propan-2-ylspiro[4a,6,7,8-tetrahydro-4H-isochromene-1,6'-cyclohex-2-ene]-1',3-dione
CID 122182582
Oblongolide V
CID 44471977
2-Hydroxy-2-(hydroxymethyl)-8,10b-dimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one
CID 75058550
4-Hydroxy-2-(hydroxymethyl)-8,10b-dimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one
CID 75058551
2-Deoxy-4Alpha-Hydroxyoblongolide X
CID 139583740
2-Hydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one
CID 163010582
(1R)-5-hydroxy-9,9-dimethoxytricyclo[6.2.2.01,6]dodec-11-en-10-one
CID 134954412
(1S,2R,8R)-2-hydroxy-10,10-dimethoxytricyclo[6.2.2.01,6]dodec-11-en-9-one
CID 134964279
(1R,5R,6R,8R)-5-hydroxy-9,9-dimethoxytricyclo[6.2.2.01,6]dodec-11-en-10-one
CID 146166019

Frequently Asked Questions

What is the IUPAC name of 2,7-dihydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one?
The IUPAC name of 2,7-dihydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one (CID 163046940) is 2,7-dihydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one.
What is the SMILES notation for 2,7-dihydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one?
The canonical SMILES for 2,7-dihydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one is CC1CCC2C(C=CC3COC(C)(O)C(=O)C32C)C1O.
What is the InChIKey of 2,7-dihydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one?
The InChIKey is ZVEYAIMRDBXWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-9-4-7-12-11(13(9)17)6-5-10-8-20-16(3,19)14(18)15(10,12)2/h5-6,9-13,17,19H,4,7-8H2,1-3H3.
What are the key properties of 2,7-dihydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one?
2,7-dihydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one has a molecular weight of 280.36 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dihydroxy-2,8,10b-trimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[f]isochromen-1-one is sourced from PubChem (CID 163046940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).