(2R,3aR,4S,5R,6aS)-2-methoxy-4-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol

C14H18O3 — CID 134901284

IUPAC(2R,3aR,4S,5R,6aS)-2-methoxy-4-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
SMILESCO[C@H]1C[C@@H]2[C@@H](c3ccccc3)[C@H](O)C[C@@H]2O1
InChIInChI=1S/C14H18O3/c1-16-13-7-10-12(17-13)8-11(15)14(10)9-5-3-2-4-6-9/h2-6,10-15H,7-8H2,1H3/t10-,11+,12-,13+,14+/m0/s1
InChIKeyWZFZMYYIOBOVNQ-MEBFFEOJSA-N
MW234.30 g/mol
LogP1.91
Rot. Bonds2

About (2R,3aR,4S,5R,6aS)-2-methoxy-4-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol

(2R,3aR,4S,5R,6aS)-2-methoxy-4-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol (PubChem CID 134901284) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2R,3aR,4S,5R,6aS)-2-methoxy-4-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol.

Molecular Properties

Compound Name(2R,3aR,4S,5R,6aS)-2-methoxy-4-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
PubChem CID134901284
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(2R,3aR,4S,5R,6aS)-2-methoxy-4-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
SMILESCO[C@H]1C[C@@H]2[C@@H](c3ccccc3)[C@H](O)C[C@@H]2O1
InChIInChI=1S/C14H18O3/c1-16-13-7-10-12(17-13)8-11(15)14(10)9-5-3-2-4-6-9/h2-6,10-15H,7-8H2,1H3/t10-,11+,12-,13+,14+/m0/s1
InChIKeyWZFZMYYIOBOVNQ-MEBFFEOJSA-N
XLogP1.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3aR,4S,5R,6aS)-2-methoxy-4-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol 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 (2R,3aR,4S,5R,6aS)-2-methoxy-4-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol?
The IUPAC name of (2R,3aR,4S,5R,6aS)-2-methoxy-4-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol (CID 134901284) is (2R,3aR,4S,5R,6aS)-2-methoxy-4-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol.
What is the SMILES notation for (2R,3aR,4S,5R,6aS)-2-methoxy-4-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol?
The canonical SMILES for (2R,3aR,4S,5R,6aS)-2-methoxy-4-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol is CO[C@H]1C[C@@H]2[C@@H](c3ccccc3)[C@H](O)C[C@@H]2O1.
What is the InChIKey of (2R,3aR,4S,5R,6aS)-2-methoxy-4-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol?
The InChIKey is WZFZMYYIOBOVNQ-MEBFFEOJSA-N. The full InChI is InChI=1S/C14H18O3/c1-16-13-7-10-12(17-13)8-11(15)14(10)9-5-3-2-4-6-9/h2-6,10-15H,7-8H2,1H3/t10-,11+,12-,13+,14+/m0/s1.
What are the key properties of (2R,3aR,4S,5R,6aS)-2-methoxy-4-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol?
(2R,3aR,4S,5R,6aS)-2-methoxy-4-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol has a molecular weight of 234.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,4S,5R,6aS)-2-methoxy-4-phenyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol is sourced from PubChem (CID 134901284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).