methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate

C15H18O5 — CID 102364682

IUPACmethyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate
SMILESCOC(=O)C1(C)CC(=O)O[C@]1(C)c1ccc(OC)cc1
InChIInChI=1S/C15H18O5/c1-14(13(17)19-4)9-12(16)20-15(14,2)10-5-7-11(18-3)8-6-10/h5-8H,9H2,1-4H3/t14?,15-/m1/s1
InChIKeyBWDJRRAPYQZFPU-YSSOQSIOSA-N
MW278.30 g/mol
LogP2.04
Rot. Bonds3

About methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate

methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate (PubChem CID 102364682) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate
PubChem CID102364682
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Namemethyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate
SMILESCOC(=O)C1(C)CC(=O)O[C@]1(C)c1ccc(OC)cc1
InChIInChI=1S/C15H18O5/c1-14(13(17)19-4)9-12(16)20-15(14,2)10-5-7-11(18-3)8-6-10/h5-8H,9H2,1-4H3/t14?,15-/m1/s1
InChIKeyBWDJRRAPYQZFPU-YSSOQSIOSA-N
XLogP2.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-(4-bromophenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate
CID 102364680
methyl (2R,3R)-3-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-2-phenyloxolane-3-carboxylate
CID 118720751
dimethyl 6-methoxy-1-oxo-4H-isochromene-3,3-dicarboxylate
CID 2752718
methyl 3-ethyl-3-(4-methoxyphenyl)-2-methyloxirane-2-carboxylate
CID 66437616
(4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one
CID 102142146
methyl (4R)-4-(4-methoxyphenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate
CID 22942427
methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate
CID 115040738
methyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate
CID 7056870
3-(4-methoxyphenyl)-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 115065280
3-acetamido-2-(4-methoxyphenyl)-2-methyloxane-3-carboxylic acid
CID 15643851
cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
CID 101031556
trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031534

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate?
The IUPAC name of methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate (CID 102364682) is methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate.
What is the SMILES notation for methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate?
The canonical SMILES for methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate is COC(=O)C1(C)CC(=O)O[C@]1(C)c1ccc(OC)cc1.
What is the InChIKey of methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate?
The InChIKey is BWDJRRAPYQZFPU-YSSOQSIOSA-N. The full InChI is InChI=1S/C15H18O5/c1-14(13(17)19-4)9-12(16)20-15(14,2)10-5-7-11(18-3)8-6-10/h5-8H,9H2,1-4H3/t14?,15-/m1/s1.
What are the key properties of methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate?
methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate has a molecular weight of 278.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate is sourced from PubChem (CID 102364682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).