methyl (4R)-4-(4-methoxyphenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate

C11H12O6S — CID 22942427

IUPACmethyl (4R)-4-(4-methoxyphenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate
SMILESCOC(=O)[C@@]1(c2ccc(OC)cc2)COS(=O)O1
InChIInChI=1S/C11H12O6S/c1-14-9-5-3-8(4-6-9)11(10(12)15-2)7-16-18(13)17-11/h3-6H,7H2,1-2H3/t11-,18?/m0/s1
InChIKeyZUHRLBCMLWRKHT-FAQQKDIKSA-N
MW272.28 g/mol
LogP0.69
Rot. Bonds3

About methyl (4R)-4-(4-methoxyphenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate

methyl (4R)-4-(4-methoxyphenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate (PubChem CID 22942427) has the molecular formula C11H12O6S and a molecular weight of 272.28 g/mol. Its IUPAC name is methyl (4R)-4-(4-methoxyphenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-(4-methoxyphenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate
PubChem CID22942427
Molecular FormulaC11H12O6S
Molecular Weight272.28 g/mol
Exact Mass272.04
IUPAC Namemethyl (4R)-4-(4-methoxyphenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate
SMILESCOC(=O)[C@@]1(c2ccc(OC)cc2)COS(=O)O1
InChIInChI=1S/C11H12O6S/c1-14-9-5-3-8(4-6-9)11(10(12)15-2)7-16-18(13)17-11/h3-6H,7H2,1-2H3/t11-,18?/m0/s1
InChIKeyZUHRLBCMLWRKHT-FAQQKDIKSA-N
XLogP0.69
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-2-oxo-1,3,2-dioxathiolane-4-carboxylate
CID 53411487
methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate
CID 102364682
methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate
CID 115040738
methyl 2-(3,4-dimethoxyphenyl)oxirane-2-carboxylate
CID 86045599
cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
CID 101031556
methyl 3-ethyl-3-(4-methoxyphenyl)-2-methyloxirane-2-carboxylate
CID 66437616
trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031534
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
ethyl 2-(4-methoxyphenyl)oxane-2-carboxylate
CID 142504241
dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate
CID 10902346
8-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 10934332
methyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate
CID 134968785

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-(4-methoxyphenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate?
The IUPAC name of methyl (4R)-4-(4-methoxyphenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate (CID 22942427) is methyl (4R)-4-(4-methoxyphenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate.
What is the SMILES notation for methyl (4R)-4-(4-methoxyphenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate?
The canonical SMILES for methyl (4R)-4-(4-methoxyphenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate is COC(=O)[C@@]1(c2ccc(OC)cc2)COS(=O)O1.
What is the InChIKey of methyl (4R)-4-(4-methoxyphenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate?
The InChIKey is ZUHRLBCMLWRKHT-FAQQKDIKSA-N. The full InChI is InChI=1S/C11H12O6S/c1-14-9-5-3-8(4-6-9)11(10(12)15-2)7-16-18(13)17-11/h3-6H,7H2,1-2H3/t11-,18?/m0/s1.
What are the key properties of methyl (4R)-4-(4-methoxyphenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate?
methyl (4R)-4-(4-methoxyphenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate has a molecular weight of 272.28 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-(4-methoxyphenyl)-2-oxo-1,3,2-dioxathiolane-4-carboxylate is sourced from PubChem (CID 22942427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).