(2-methoxyphenyl) (4R,5S)-2-oxo-5-(2-phenylethyl)-1,3-dioxolane-4-carboxylate

C19H18O6 — CID 11186922

IUPAC(2-methoxyphenyl) (4R,5S)-2-oxo-5-(2-phenylethyl)-1,3-dioxolane-4-carboxylate
SMILESCOc1ccccc1OC(=O)[C@@H]1OC(=O)O[C@H]1CCc1ccccc1
InChIInChI=1S/C19H18O6/c1-22-14-9-5-6-10-15(14)23-18(20)17-16(24-19(21)25-17)12-11-13-7-3-2-4-8-13/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1
InChIKeyIOVZYPORRPFSEY-DLBZAZTESA-N
MW342.35 g/mol
LogP3.14
Rot. Bonds6

About (2-methoxyphenyl) (4R,5S)-2-oxo-5-(2-phenylethyl)-1,3-dioxolane-4-carboxylate

(2-methoxyphenyl) (4R,5S)-2-oxo-5-(2-phenylethyl)-1,3-dioxolane-4-carboxylate (PubChem CID 11186922) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is (2-methoxyphenyl) (4R,5S)-2-oxo-5-(2-phenylethyl)-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl) (4R,5S)-2-oxo-5-(2-phenylethyl)-1,3-dioxolane-4-carboxylate
PubChem CID11186922
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Name(2-methoxyphenyl) (4R,5S)-2-oxo-5-(2-phenylethyl)-1,3-dioxolane-4-carboxylate
SMILESCOc1ccccc1OC(=O)[C@@H]1OC(=O)O[C@H]1CCc1ccccc1
InChIInChI=1S/C19H18O6/c1-22-14-9-5-6-10-15(14)23-18(20)17-16(24-19(21)25-17)12-11-13-7-3-2-4-8-13/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1
InChIKeyIOVZYPORRPFSEY-DLBZAZTESA-N
XLogP3.14
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2-methoxyphenyl) (4R,5S)-2-oxo-5-(2-phenylethyl)-1,3-dioxolane-4-carboxylate 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

(4R,5S)-4-(2-methoxybenzoyl)-5-(2-phenylethyl)-1,3-dioxolan-2-one
CID 11324853
ethyl (2R,3R)-3-(2-phenylethyl)oxirane-2-carboxylate
CID 138975697
1-[3-(2-phenylethyl)oxiran-2-yl]ethanone
CID 12794803
2-(2-methoxyphenoxy)-2-oxoacetic acid
CID 14886364
(2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate
CID 78777290
methyl (2S,3S,4R,5R,6S)-3,5-dimethyl-6-(2-phenylethyl)-4-triethylsilyloxyoxane-2-carboxylate
CID 140807471
phenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone
CID 11021385
(3R,4S)-4-(2-phenylethyl)-3-trimethylsilyloxetan-2-one
CID 134988727
(5R,6S)-5-acetyl-6-(2-phenylethyl)oxan-2-one
CID 101034778
amino (2S)-2-(2-phenylethyl)oxolane-3-carboxylate
CID 91512790
(2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane
CID 131860879
[2-(3-phenylpropanoyloxy)phenyl] cyclopropanecarboxylate
CID 91695251

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) (4R,5S)-2-oxo-5-(2-phenylethyl)-1,3-dioxolane-4-carboxylate?
The IUPAC name of (2-methoxyphenyl) (4R,5S)-2-oxo-5-(2-phenylethyl)-1,3-dioxolane-4-carboxylate (CID 11186922) is (2-methoxyphenyl) (4R,5S)-2-oxo-5-(2-phenylethyl)-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for (2-methoxyphenyl) (4R,5S)-2-oxo-5-(2-phenylethyl)-1,3-dioxolane-4-carboxylate?
The canonical SMILES for (2-methoxyphenyl) (4R,5S)-2-oxo-5-(2-phenylethyl)-1,3-dioxolane-4-carboxylate is COc1ccccc1OC(=O)[C@@H]1OC(=O)O[C@H]1CCc1ccccc1.
What is the InChIKey of (2-methoxyphenyl) (4R,5S)-2-oxo-5-(2-phenylethyl)-1,3-dioxolane-4-carboxylate?
The InChIKey is IOVZYPORRPFSEY-DLBZAZTESA-N. The full InChI is InChI=1S/C19H18O6/c1-22-14-9-5-6-10-15(14)23-18(20)17-16(24-19(21)25-17)12-11-13-7-3-2-4-8-13/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1.
What are the key properties of (2-methoxyphenyl) (4R,5S)-2-oxo-5-(2-phenylethyl)-1,3-dioxolane-4-carboxylate?
(2-methoxyphenyl) (4R,5S)-2-oxo-5-(2-phenylethyl)-1,3-dioxolane-4-carboxylate has a molecular weight of 342.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) (4R,5S)-2-oxo-5-(2-phenylethyl)-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 11186922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).