(3S)-3-[(1R)-1-hydroxyethyl]-3-[(E)-3-phenylprop-2-enyl]oxolan-2-one

C15H18O3 — CID 101174341

IUPAC(3S)-3-[(1R)-1-hydroxyethyl]-3-[(E)-3-phenylprop-2-enyl]oxolan-2-one
SMILESC[C@@H](O)[C@]1(C/C=C/c2ccccc2)CCOC1=O
InChIInChI=1S/C15H18O3/c1-12(16)15(10-11-18-14(15)17)9-5-8-13-6-3-2-4-7-13/h2-8,12,16H,9-11H2,1H3/b8-5+/t12-,15+/m1/s1
InChIKeyJGRRVOJIIKTMKY-ITPJJHHZSA-N
MW246.31 g/mol
LogP2.40
Rot. Bonds4

About (3S)-3-[(1R)-1-hydroxyethyl]-3-[(E)-3-phenylprop-2-enyl]oxolan-2-one

(3S)-3-[(1R)-1-hydroxyethyl]-3-[(E)-3-phenylprop-2-enyl]oxolan-2-one (PubChem CID 101174341) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-hydroxyethyl]-3-[(E)-3-phenylprop-2-enyl]oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-hydroxyethyl]-3-[(E)-3-phenylprop-2-enyl]oxolan-2-one
PubChem CID101174341
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name(3S)-3-[(1R)-1-hydroxyethyl]-3-[(E)-3-phenylprop-2-enyl]oxolan-2-one
SMILESC[C@@H](O)[C@]1(C/C=C/c2ccccc2)CCOC1=O
InChIInChI=1S/C15H18O3/c1-12(16)15(10-11-18-14(15)17)9-5-8-13-6-3-2-4-7-13/h2-8,12,16H,9-11H2,1H3/b8-5+/t12-,15+/m1/s1
InChIKeyJGRRVOJIIKTMKY-ITPJJHHZSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[(1R)-1-hydroxyethyl]-3-[(E)-3-phenylprop-2-enyl]oxolan-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

(3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one
CID 101174342
2-ethyl-2-[(E)-3-phenylprop-2-enyl]oxetane
CID 22177287
ethyl 1-[(E)-3-phenylprop-2-enyl]cyclopropane-1-carboxylate
CID 134865085
(2S)-2-acetyl-2-[(E)-3-phenylprop-2-enyl]cyclooctan-1-one
CID 101254429
(3S,6S)-3,6-dimethyl-4-[(1S)-1-phenylethyl]-3-[(E)-3-phenylprop-2-enyl]-6-prop-2-enylmorpholine-2,5-dione
CID 100919774
(3S,6S)-6-benzyl-3,6-dimethyl-4-[(1R)-1-phenylethyl]-3-[(E)-3-phenylprop-2-enyl]morpholine-2,5-dione
CID 100924541
trihydroxy(3-phenylprop-2-enyl)phosphanium
CID 70142410
[(E)-3-(1,2-dimethylcyclopent-2-en-1-yl)prop-1-enyl]benzene
CID 138964219
(2S,5R)-2-tert-butyl-5-methyl-5-[(E)-3-phenylprop-2-enyl]-1,3-dioxolan-4-one
CID 11630460
4-chloropent-1-enylbenzene
CID 66808272
S-[(1R)-1-[(E)-3-phenylprop-2-enyl]cyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamothioate
CID 101224639
ethyl 2-[(3R)-3-[(E)-3-(4-methylphenyl)prop-2-enyl]-2-oxooxan-3-yl]acetate
CID 138616104

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-hydroxyethyl]-3-[(E)-3-phenylprop-2-enyl]oxolan-2-one?
The IUPAC name of (3S)-3-[(1R)-1-hydroxyethyl]-3-[(E)-3-phenylprop-2-enyl]oxolan-2-one (CID 101174341) is (3S)-3-[(1R)-1-hydroxyethyl]-3-[(E)-3-phenylprop-2-enyl]oxolan-2-one.
What is the SMILES notation for (3S)-3-[(1R)-1-hydroxyethyl]-3-[(E)-3-phenylprop-2-enyl]oxolan-2-one?
The canonical SMILES for (3S)-3-[(1R)-1-hydroxyethyl]-3-[(E)-3-phenylprop-2-enyl]oxolan-2-one is C[C@@H](O)[C@]1(C/C=C/c2ccccc2)CCOC1=O.
What is the InChIKey of (3S)-3-[(1R)-1-hydroxyethyl]-3-[(E)-3-phenylprop-2-enyl]oxolan-2-one?
The InChIKey is JGRRVOJIIKTMKY-ITPJJHHZSA-N. The full InChI is InChI=1S/C15H18O3/c1-12(16)15(10-11-18-14(15)17)9-5-8-13-6-3-2-4-7-13/h2-8,12,16H,9-11H2,1H3/b8-5+/t12-,15+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-hydroxyethyl]-3-[(E)-3-phenylprop-2-enyl]oxolan-2-one?
(3S)-3-[(1R)-1-hydroxyethyl]-3-[(E)-3-phenylprop-2-enyl]oxolan-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-hydroxyethyl]-3-[(E)-3-phenylprop-2-enyl]oxolan-2-one is sourced from PubChem (CID 101174341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).