8-hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one

C20H28O3 — CID 163114633

IUPAC8-hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one
SMILESCC1(C)C(=O)C(O)CC2(C)C1CCC1(C)c3cocc3CCC12
InChIInChI=1S/C20H28O3/c1-18(2)15-7-8-19(3)13-11-23-10-12(13)5-6-16(19)20(15,4)9-14(21)17(18)22/h10-11,14-16,21H,5-9H2,1-4H3
InChIKeyVVGJGZVSTOIYAC-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.88
Rot. Bonds

About 8-hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one

8-hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one (PubChem CID 163114633) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is 8-hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one.

Molecular Properties

Compound Name8-hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one
PubChem CID163114633
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Name8-hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one
SMILESCC1(C)C(=O)C(O)CC2(C)C1CCC1(C)c3cocc3CCC12
InChIInChI=1S/C20H28O3/c1-18(2)15-7-8-19(3)13-11-23-10-12(13)5-6-16(19)20(15,4)9-14(21)17(18)22/h10-11,14-16,21H,5-9H2,1-4H3
InChIKeyVVGJGZVSTOIYAC-UHFFFAOYSA-N
XLogP3.88
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-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

(3bR,5aR,6S,8R,9aR,9bR)-8-hydroxy-6-(hydroxymethyl)-3b,6,9a-trimethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one
CID 10336876
(3bR,5aR,6S,7R,8S,9aR,9bR)-6-(hydroxymethyl)-3b,6,9a-trimethyl-5,5a,7,8,9,9b,10,11-octahydro-4H-naphtho[2,1-e][2]benzofuran-7,8-diol
CID 163114085
(3b,6,6,9a-tetramethyl-8-oxo-4,5,5a,7,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-yl) acetate
CID 163113531
[(3bR,5aR,6S,9aR,9bR)-3b,5a,6,9a-tetramethyl-4,5,7,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-6-yl]methanol
CID 71762133
(3bS,5aR,6S,9aR,9bR)-8-hydroxy-3b,6-bis(hydroxymethyl)-6,9a-dimethyl-4,5,5a,9b,10,11-hexahydronaphtho[2,1-e][2]benzofuran-7-one
CID 163113758
(2R,6aR,6bS,8aR,11R,12S,12aR,14bR)-2-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one
CID 118403960
(2R,4aS,6aR,6aS,6bR,8aR,11R,12aR,14bR)-11-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid
CID 21125697
[(3bS,6S,7S,9aR)-7-acetyloxy-3b-(hydroxymethyl)-6,9a-dimethyl-8-oxo-4,5,5a,7,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-6-yl]methyl acetate
CID 11796978
[3b-(acetyloxymethyl)-8-hydroxy-6,9a-dimethyl-7-oxo-4,5,5a,9b,10,11-hexahydronaphtho[2,1-e][2]benzofuran-6-yl]methyl acetate
CID 163107849
(1R,2R,4aS,6aR,6aS,6bR,11R,12aR)-1,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-2H-picene-4a-carboxylic acid
CID 3002170
(1R,2R,4aS,6aR,6aS,6bS,8aR,11S,12aS,14bS)-1,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-2H-picene-4a-carboxylic acid
CID 125039120
6,9a-dimethyl-4,5,8,9-tetrahydrobenzo[e][2]benzofuran-7-one
CID 11020299

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one?
The IUPAC name of 8-hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one (CID 163114633) is 8-hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one.
What is the SMILES notation for 8-hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one?
The canonical SMILES for 8-hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one is CC1(C)C(=O)C(O)CC2(C)C1CCC1(C)c3cocc3CCC12.
What is the InChIKey of 8-hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one?
The InChIKey is VVGJGZVSTOIYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3/c1-18(2)15-7-8-19(3)13-11-23-10-12(13)5-6-16(19)20(15,4)9-14(21)17(18)22/h10-11,14-16,21H,5-9H2,1-4H3.
What are the key properties of 8-hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one?
8-hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one has a molecular weight of 316.44 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3b,6,6,9a-tetramethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one is sourced from PubChem (CID 163114633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).