(5S,7R,8S)-8-hydroxy-7-phenyl-1,6-dioxaspiro[4.4]nonan-2-one

C13H14O4 — CID 102154772

IUPAC(5S,7R,8S)-8-hydroxy-7-phenyl-1,6-dioxaspiro[4.4]nonan-2-one
SMILESO=C1CC[C@@]2(C[C@H](O)[C@@H](c3ccccc3)O2)O1
InChIInChI=1S/C13H14O4/c14-10-8-13(7-6-11(15)16-13)17-12(10)9-4-2-1-3-5-9/h1-5,10,12,14H,6-8H2/t10-,12+,13+/m0/s1
InChIKeyDPICRTAFXLYOQF-CYZMBNFOSA-N
MW234.25 g/mol
LogP1.54
Rot. Bonds1

About (5S,7R,8S)-8-hydroxy-7-phenyl-1,6-dioxaspiro[4.4]nonan-2-one

(5S,7R,8S)-8-hydroxy-7-phenyl-1,6-dioxaspiro[4.4]nonan-2-one (PubChem CID 102154772) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is (5S,7R,8S)-8-hydroxy-7-phenyl-1,6-dioxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5S,7R,8S)-8-hydroxy-7-phenyl-1,6-dioxaspiro[4.4]nonan-2-one
PubChem CID102154772
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name(5S,7R,8S)-8-hydroxy-7-phenyl-1,6-dioxaspiro[4.4]nonan-2-one
SMILESO=C1CC[C@@]2(C[C@H](O)[C@@H](c3ccccc3)O2)O1
InChIInChI=1S/C13H14O4/c14-10-8-13(7-6-11(15)16-13)17-12(10)9-4-2-1-3-5-9/h1-5,10,12,14H,6-8H2/t10-,12+,13+/m0/s1
InChIKeyDPICRTAFXLYOQF-CYZMBNFOSA-N
XLogP1.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S,7R,8S)-8-hydroxy-7-phenyl-1,6-dioxaspiro[4.4]nonan-2-one 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 (5S,7R,8S)-8-hydroxy-7-phenyl-1,6-dioxaspiro[4.4]nonan-2-one?
The IUPAC name of (5S,7R,8S)-8-hydroxy-7-phenyl-1,6-dioxaspiro[4.4]nonan-2-one (CID 102154772) is (5S,7R,8S)-8-hydroxy-7-phenyl-1,6-dioxaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5S,7R,8S)-8-hydroxy-7-phenyl-1,6-dioxaspiro[4.4]nonan-2-one?
The canonical SMILES for (5S,7R,8S)-8-hydroxy-7-phenyl-1,6-dioxaspiro[4.4]nonan-2-one is O=C1CC[C@@]2(C[C@H](O)[C@@H](c3ccccc3)O2)O1.
What is the InChIKey of (5S,7R,8S)-8-hydroxy-7-phenyl-1,6-dioxaspiro[4.4]nonan-2-one?
The InChIKey is DPICRTAFXLYOQF-CYZMBNFOSA-N. The full InChI is InChI=1S/C13H14O4/c14-10-8-13(7-6-11(15)16-13)17-12(10)9-4-2-1-3-5-9/h1-5,10,12,14H,6-8H2/t10-,12+,13+/m0/s1.
What are the key properties of (5S,7R,8S)-8-hydroxy-7-phenyl-1,6-dioxaspiro[4.4]nonan-2-one?
(5S,7R,8S)-8-hydroxy-7-phenyl-1,6-dioxaspiro[4.4]nonan-2-one has a molecular weight of 234.25 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R,8S)-8-hydroxy-7-phenyl-1,6-dioxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 102154772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).