(1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one

C14H16O3 — CID 101214627

IUPAC(1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one
SMILESO=C1O[C@@H](c2ccccc2)C2(CCCC2)[C@@H]1O
InChIInChI=1S/C14H16O3/c15-11-13(16)17-12(10-6-2-1-3-7-10)14(11)8-4-5-9-14/h1-3,6-7,11-12,15H,4-5,8-9H2/t11-,12+/m1/s1
InChIKeyXMBDXWDBBNRPIO-NEPJUHHUSA-N
MW232.28 g/mol
LogP2.21
Rot. Bonds1

About (1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one

(1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one (PubChem CID 101214627) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is (1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one
PubChem CID101214627
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name(1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one
SMILESO=C1O[C@@H](c2ccccc2)C2(CCCC2)[C@@H]1O
InChIInChI=1S/C14H16O3/c15-11-13(16)17-12(10-6-2-1-3-7-10)14(11)8-4-5-9-14/h1-3,6-7,11-12,15H,4-5,8-9H2/t11-,12+/m1/s1
InChIKeyXMBDXWDBBNRPIO-NEPJUHHUSA-N
XLogP2.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-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

(1S)-4,4-dimethyl-1-phenyl-2-oxaspiro[5.5]undecane-3,5-dione
CID 706721
(16R)-16-phenyl-15-oxadispiro[5.1.58.36]hexadecane-7,14-dione
CID 880512
1-phenylspiro[2.4]heptane-2-carboxylic acid
CID 83486210
3-oxo-1-phenyl-5,6,7,8-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-8a-carbonitrile
CID 14355226
(3S)-3-hydroxy-5-phenyloxolan-2-one
CID 46197935
3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one
CID 11834613
(5S)-3,3,4,4-tetrahydroxy-5-phenyloxolan-2-one
CID 7103134
(3R,5R)-3-hydroxy-5-phenyloxolan-2-one
CID 11665488
10-phenyl-9-oxadispiro[2.1.25.33]decane-4,8-dione
CID 10105781
(6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione
CID 139042269
3,3-dichloro-4-phenyloxetan-2-one
CID 12622625
3,3-dimethyl-6-phenyloxan-2-one
CID 171853852

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one?
The IUPAC name of (1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one (CID 101214627) is (1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one.
What is the SMILES notation for (1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one?
The canonical SMILES for (1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one is O=C1O[C@@H](c2ccccc2)C2(CCCC2)[C@@H]1O.
What is the InChIKey of (1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one?
The InChIKey is XMBDXWDBBNRPIO-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H16O3/c15-11-13(16)17-12(10-6-2-1-3-7-10)14(11)8-4-5-9-14/h1-3,6-7,11-12,15H,4-5,8-9H2/t11-,12+/m1/s1.
What are the key properties of (1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one?
(1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one has a molecular weight of 232.28 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one is sourced from PubChem (CID 101214627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).