(3S,4R)-4-pentyl-3-phenyloxolan-2-one

C15H20O2 — CID 102094914

IUPAC(3S,4R)-4-pentyl-3-phenyloxolan-2-one
SMILESCCCCC[C@H]1COC(=O)[C@@H]1c1ccccc1
InChIInChI=1S/C15H20O2/c1-2-3-5-10-13-11-17-15(16)14(13)12-8-6-4-7-9-12/h4,6-9,13-14H,2-3,5,10-11H2,1H3/t13-,14+/m0/s1
InChIKeyFIWAZRJLWNUHCK-UONOGXRCSA-N
MW232.32 g/mol
LogP3.52
Rot. Bonds5

About (3S,4R)-4-pentyl-3-phenyloxolan-2-one

(3S,4R)-4-pentyl-3-phenyloxolan-2-one (PubChem CID 102094914) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (3S,4R)-4-pentyl-3-phenyloxolan-2-one.

Molecular Properties

Compound Name(3S,4R)-4-pentyl-3-phenyloxolan-2-one
PubChem CID102094914
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(3S,4R)-4-pentyl-3-phenyloxolan-2-one
SMILESCCCCC[C@H]1COC(=O)[C@@H]1c1ccccc1
InChIInChI=1S/C15H20O2/c1-2-3-5-10-13-11-17-15(16)14(13)12-8-6-4-7-9-12/h4,6-9,13-14H,2-3,5,10-11H2,1H3/t13-,14+/m0/s1
InChIKeyFIWAZRJLWNUHCK-UONOGXRCSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S,4R)-4-pentyl-3-phenyloxolan-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

Related Compounds

(3R,4S)-4-butyl-3-phenyloxolan-2-one
CID 12063781
(3S,4R)-4-(methoxymethoxymethyl)-3-phenyloxolan-2-one
CID 11413679
(3R,4R)-4-pentyl-3-phenyl-6-(trichloromethyl)-3,4-dihydropyran-2-one
CID 134951603
[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
3-pentyl-6-phenyloxan-2-one
CID 21247942
(3S,5S)-3-phenyl-5-tridecyloxolan-2-one
CID 10860874
4-hexyl-2-phenyl-1,3-dioxolane
CID 13289082
3-dodecyloxetan-2-one
CID 165020567
(3S,4S)-3,4-dipentyl-3,4-dihydro-2H-chromene
CID 69084900
3-methylidene-4-pentyl-2-phenyl-1,3-oxazolidin-3-ium-5-one
CID 87872883
(4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one
CID 15468887
(3R,5R)-5-butyl-3-phenyloxolan-2-one
CID 14968658

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-pentyl-3-phenyloxolan-2-one?
The IUPAC name of (3S,4R)-4-pentyl-3-phenyloxolan-2-one (CID 102094914) is (3S,4R)-4-pentyl-3-phenyloxolan-2-one.
What is the SMILES notation for (3S,4R)-4-pentyl-3-phenyloxolan-2-one?
The canonical SMILES for (3S,4R)-4-pentyl-3-phenyloxolan-2-one is CCCCC[C@H]1COC(=O)[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-pentyl-3-phenyloxolan-2-one?
The InChIKey is FIWAZRJLWNUHCK-UONOGXRCSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-3-5-10-13-11-17-15(16)14(13)12-8-6-4-7-9-12/h4,6-9,13-14H,2-3,5,10-11H2,1H3/t13-,14+/m0/s1.
What are the key properties of (3S,4R)-4-pentyl-3-phenyloxolan-2-one?
(3S,4R)-4-pentyl-3-phenyloxolan-2-one has a molecular weight of 232.32 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-pentyl-3-phenyloxolan-2-one is sourced from PubChem (CID 102094914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).