methyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate

C16H20O5 — CID 7056870

IUPACmethyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)[C@@]1(c2ccc(OC)cc2)CCC(=O)O1
InChIInChI=1S/C16H20O5/c1-15(2,14(18)20-4)16(10-9-13(17)21-16)11-5-7-12(19-3)8-6-11/h5-8H,9-10H2,1-4H3/t16-/m0/s1
InChIKeyGQSYVLPEVGKPBL-INIZCTEOSA-N
MW292.33 g/mol
LogP2.43
Rot. Bonds4

About methyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate

methyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate (PubChem CID 7056870) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate
PubChem CID7056870
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Namemethyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)[C@@]1(c2ccc(OC)cc2)CCC(=O)O1
InChIInChI=1S/C16H20O5/c1-15(2,14(18)20-4)16(10-9-13(17)21-16)11-5-7-12(19-3)8-6-11/h5-8H,9-10H2,1-4H3/t16-/m0/s1
InChIKeyGQSYVLPEVGKPBL-INIZCTEOSA-N
XLogP2.43
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate 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

(5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one
CID 122380842
methyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate
CID 177408752
methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate
CID 102364682
(6S)-6-(bromomethyl)-6-(4-methoxyphenyl)oxan-2-one
CID 102342730
[4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate
CID 174809929
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
[1-[4-(4-methoxyphenyl)phenyl]cyclopropyl]carbamic acid
CID 121483236
methyl 2-(1,7-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)-2-methylpropanoate
CID 11086513
tert-butyl 1-(4-methoxyphenyl)cyclopropane-1-carboperoxoate
CID 10539552
benzyl 2-(4-methoxyphenyl)sulfanyl-5-oxooxolane-2-carboxylate
CID 14477537
[3-(4-methoxyphenyl)azepan-3-yl] 2,2-dimethylpropanoate
CID 174818718
N-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide
CID 113091232

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate (CID 7056870) is methyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate is COC(=O)C(C)(C)[C@@]1(c2ccc(OC)cc2)CCC(=O)O1.
What is the InChIKey of methyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate?
The InChIKey is GQSYVLPEVGKPBL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20O5/c1-15(2,14(18)20-4)16(10-9-13(17)21-16)11-5-7-12(19-3)8-6-11/h5-8H,9-10H2,1-4H3/t16-/m0/s1.
What are the key properties of methyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate?
methyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate has a molecular weight of 292.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate is sourced from PubChem (CID 7056870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).