[(1S,3S,3aR,4S,4aS,8aR,9aS)-1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]methanol

C15H26O3 — CID 15427656

IUPAC[(1S,3S,3aR,4S,4aS,8aR,9aS)-1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]methanol
SMILESCO[C@H]1O[C@@H](C)[C@H]2[C@@H]1C[C@H]1CCCC[C@@H]1[C@@H]2CO
InChIInChI=1S/C15H26O3/c1-9-14-12(15(17-2)18-9)7-10-5-3-4-6-11(10)13(14)8-16/h9-16H,3-8H2,1-2H3/t9-,10+,11-,12-,13-,14-,15-/m0/s1
InChIKeyKGEKVIZSTNHHRV-VCWHZULMSA-N
MW254.37 g/mol
LogP2.43
Rot. Bonds2

About [(1S,3S,3aR,4S,4aS,8aR,9aS)-1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]methanol

[(1S,3S,3aR,4S,4aS,8aR,9aS)-1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]methanol (PubChem CID 15427656) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is [(1S,3S,3aR,4S,4aS,8aR,9aS)-1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]methanol.

Molecular Properties

Compound Name[(1S,3S,3aR,4S,4aS,8aR,9aS)-1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]methanol
PubChem CID15427656
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name[(1S,3S,3aR,4S,4aS,8aR,9aS)-1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]methanol
SMILESCO[C@H]1O[C@@H](C)[C@H]2[C@@H]1C[C@H]1CCCC[C@@H]1[C@@H]2CO
InChIInChI=1S/C15H26O3/c1-9-14-12(15(17-2)18-9)7-10-5-3-4-6-11(10)13(14)8-16/h9-16H,3-8H2,1-2H3/t9-,10+,11-,12-,13-,14-,15-/m0/s1
InChIKeyKGEKVIZSTNHHRV-VCWHZULMSA-N
XLogP2.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,3S,3aR,4S,4aS,8aR,9aS)-1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]methanol 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 [(1S,3S,3aR,4S,4aS,8aR,9aS)-1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]methanol?
The IUPAC name of [(1S,3S,3aR,4S,4aS,8aR,9aS)-1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]methanol (CID 15427656) is [(1S,3S,3aR,4S,4aS,8aR,9aS)-1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]methanol.
What is the SMILES notation for [(1S,3S,3aR,4S,4aS,8aR,9aS)-1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]methanol?
The canonical SMILES for [(1S,3S,3aR,4S,4aS,8aR,9aS)-1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]methanol is CO[C@H]1O[C@@H](C)[C@H]2[C@@H]1C[C@H]1CCCC[C@@H]1[C@@H]2CO.
What is the InChIKey of [(1S,3S,3aR,4S,4aS,8aR,9aS)-1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]methanol?
The InChIKey is KGEKVIZSTNHHRV-VCWHZULMSA-N. The full InChI is InChI=1S/C15H26O3/c1-9-14-12(15(17-2)18-9)7-10-5-3-4-6-11(10)13(14)8-16/h9-16H,3-8H2,1-2H3/t9-,10+,11-,12-,13-,14-,15-/m0/s1.
What are the key properties of [(1S,3S,3aR,4S,4aS,8aR,9aS)-1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]methanol?
[(1S,3S,3aR,4S,4aS,8aR,9aS)-1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]methanol has a molecular weight of 254.37 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S,3aR,4S,4aS,8aR,9aS)-1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]methanol is sourced from PubChem (CID 15427656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).