(1R,3aR,11aS)-6,6,11a-trimethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzofuran-1,4-diol

C19H26O3 — CID 139202584

IUPAC(1R,3aR,11aS)-6,6,11a-trimethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzofuran-1,4-diol
SMILESCC1(C)CCCc2c1cc(O)c1c2CC[C@@]2(C)[C@@H](O)CO[C@@H]12
InChIInChI=1S/C19H26O3/c1-18(2)7-4-5-11-12-6-8-19(3)15(21)10-22-17(19)16(12)14(20)9-13(11)18/h9,15,17,20-21H,4-8,10H2,1-3H3/t15-,17-,19-/m0/s1
InChIKeyRZEOMKKDBQYXSV-IEZWGBDMSA-N
MW302.41 g/mol
LogP3.39
Rot. Bonds

About (1R,3aR,11aS)-6,6,11a-trimethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzofuran-1,4-diol

(1R,3aR,11aS)-6,6,11a-trimethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzofuran-1,4-diol (PubChem CID 139202584) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is (1R,3aR,11aS)-6,6,11a-trimethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzofuran-1,4-diol.

Molecular Properties

Compound Name(1R,3aR,11aS)-6,6,11a-trimethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzofuran-1,4-diol
PubChem CID139202584
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name(1R,3aR,11aS)-6,6,11a-trimethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzofuran-1,4-diol
SMILESCC1(C)CCCc2c1cc(O)c1c2CC[C@@]2(C)[C@@H](O)CO[C@@H]12
InChIInChI=1S/C19H26O3/c1-18(2)7-4-5-11-12-6-8-19(3)15(21)10-22-17(19)16(12)14(20)9-13(11)18/h9,15,17,20-21H,4-8,10H2,1-3H3/t15-,17-,19-/m0/s1
InChIKeyRZEOMKKDBQYXSV-IEZWGBDMSA-N
XLogP3.39
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,3aR,11aS)-6,6,11a-trimethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzofuran-1,4-diol 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 (1R,3aR,11aS)-6,6,11a-trimethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzofuran-1,4-diol?
The IUPAC name of (1R,3aR,11aS)-6,6,11a-trimethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzofuran-1,4-diol (CID 139202584) is (1R,3aR,11aS)-6,6,11a-trimethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzofuran-1,4-diol.
What is the SMILES notation for (1R,3aR,11aS)-6,6,11a-trimethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzofuran-1,4-diol?
The canonical SMILES for (1R,3aR,11aS)-6,6,11a-trimethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzofuran-1,4-diol is CC1(C)CCCc2c1cc(O)c1c2CC[C@@]2(C)[C@@H](O)CO[C@@H]12.
What is the InChIKey of (1R,3aR,11aS)-6,6,11a-trimethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzofuran-1,4-diol?
The InChIKey is RZEOMKKDBQYXSV-IEZWGBDMSA-N. The full InChI is InChI=1S/C19H26O3/c1-18(2)7-4-5-11-12-6-8-19(3)15(21)10-22-17(19)16(12)14(20)9-13(11)18/h9,15,17,20-21H,4-8,10H2,1-3H3/t15-,17-,19-/m0/s1.
What are the key properties of (1R,3aR,11aS)-6,6,11a-trimethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzofuran-1,4-diol?
(1R,3aR,11aS)-6,6,11a-trimethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzofuran-1,4-diol has a molecular weight of 302.41 g/mol, XLogP of 3.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aR,11aS)-6,6,11a-trimethyl-1,2,3a,7,8,9,10,11-octahydronaphtho[1,2-g][1]benzofuran-1,4-diol is sourced from PubChem (CID 139202584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).