ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one

C13H16O3 — CID 163229025

IUPACethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one
SMILESC=C.COc1ccccc1[C@H]1CCC(=O)O1
InChIInChI=1S/C11H12O3.C2H4/c1-13-9-5-3-2-4-8(9)10-6-7-11(12)14-10;1-2/h2-5,10H,6-7H2,1H3;1-2H2/t10-;/m1./s1
InChIKeyLVYLMQXSUZZUKI-HNCPQSOCSA-N
MW220.27 g/mol
LogP2.88
Rot. Bonds2

About ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one

ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one (PubChem CID 163229025) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one.

Molecular Properties

Compound Nameethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one
PubChem CID163229025
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Nameethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one
SMILESC=C.COc1ccccc1[C@H]1CCC(=O)O1
InChIInChI=1S/C11H12O3.C2H4/c1-13-9-5-3-2-4-8(9)10-6-7-11(12)14-10;1-2/h2-5,10H,6-7H2,1H3;1-2H2/t10-;/m1./s1
InChIKeyLVYLMQXSUZZUKI-HNCPQSOCSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethene;(5R)-5-(2-methoxyphenyl)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

(5S)-5-(2-methoxyphenyl)oxolan-2-one
CID 10750262
5-(4-methoxynaphthalen-1-yl)oxolan-2-one
CID 103439901
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
(5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one
CID 155935569
3-cyclopropyl-5-(2-methoxyphenyl)-1,3-oxazolidin-2-one
CID 82082707
8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 175310251
(5S)-5-(4-methoxyphenyl)oxolan-2-one
CID 12862881
(4R)-4-(2-methoxyphenyl)oxan-2-one
CID 102162609
2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
CID 175916705
(4R)-4-(2-methoxyphenyl)oxolan-2-one
CID 125041277
(4S,5S)-5-(2-methoxyphenyl)-4-methyl-3-methylideneoxolan-2-one
CID 101402509
2-(2-methoxyphenyl)-4-methyl-1,3-oxathiolan-5-one
CID 139899567

Frequently Asked Questions

What is the IUPAC name of ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one?
The IUPAC name of ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one (CID 163229025) is ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one.
What is the SMILES notation for ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one?
The canonical SMILES for ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one is C=C.COc1ccccc1[C@H]1CCC(=O)O1.
What is the InChIKey of ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one?
The InChIKey is LVYLMQXSUZZUKI-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H12O3.C2H4/c1-13-9-5-3-2-4-8(9)10-6-7-11(12)14-10;1-2/h2-5,10H,6-7H2,1H3;1-2H2/t10-;/m1./s1.
What are the key properties of ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one?
ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one has a molecular weight of 220.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one is sourced from PubChem (CID 163229025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).