(3R,5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-propyloxolan-2-one

C15H19FO2 — CID 57005582

IUPAC(3R,5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-propyloxolan-2-one
SMILESCCC[C@@]1(C)C[C@@H](Cc2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C15H19FO2/c1-3-8-15(2)10-12(14(17)18-15)9-11-4-6-13(16)7-5-11/h4-7,12H,3,8-10H2,1-2H3/t12-,15+/m1/s1
InChIKeyGSZQKWHYKVMICO-DOMZBBRYSA-N
MW250.31 g/mol
LogP3.49
Rot. Bonds4

About (3R,5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-propyloxolan-2-one

(3R,5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-propyloxolan-2-one (PubChem CID 57005582) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is (3R,5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-propyloxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-propyloxolan-2-one
PubChem CID57005582
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name(3R,5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-propyloxolan-2-one
SMILESCCC[C@@]1(C)C[C@@H](Cc2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C15H19FO2/c1-3-8-15(2)10-12(14(17)18-15)9-11-4-6-13(16)7-5-11/h4-7,12H,3,8-10H2,1-2H3/t12-,15+/m1/s1
InChIKeyGSZQKWHYKVMICO-DOMZBBRYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-propyloxolan-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 (3R,5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-propyloxolan-2-one?
The IUPAC name of (3R,5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-propyloxolan-2-one (CID 57005582) is (3R,5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-propyloxolan-2-one.
What is the SMILES notation for (3R,5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-propyloxolan-2-one?
The canonical SMILES for (3R,5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-propyloxolan-2-one is CCC[C@@]1(C)C[C@@H](Cc2ccc(F)cc2)C(=O)O1.
What is the InChIKey of (3R,5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-propyloxolan-2-one?
The InChIKey is GSZQKWHYKVMICO-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-3-8-15(2)10-12(14(17)18-15)9-11-4-6-13(16)7-5-11/h4-7,12H,3,8-10H2,1-2H3/t12-,15+/m1/s1.
What are the key properties of (3R,5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-propyloxolan-2-one?
(3R,5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-propyloxolan-2-one has a molecular weight of 250.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-propyloxolan-2-one is sourced from PubChem (CID 57005582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).