methyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate

C14H16O6 — CID 177408752

IUPACmethyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate
SMILESCOC(=O)[C@@](O)(c1ccc(OC)cc1)[C@H]1CCC(=O)O1
InChIInChI=1S/C14H16O6/c1-18-10-5-3-9(4-6-10)14(17,13(16)19-2)11-7-8-12(15)20-11/h3-6,11,17H,7-8H2,1-2H3/t11-,14-/m1/s1
InChIKeyDFYKSKJSOPPHOR-BXUZGUMPSA-N
MW280.28 g/mol
LogP0.76
Rot. Bonds4

About methyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate

methyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate (PubChem CID 177408752) has the molecular formula C14H16O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate
PubChem CID177408752
Molecular FormulaC14H16O6
Molecular Weight280.28 g/mol
Exact Mass280.09
IUPAC Namemethyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate
SMILESCOC(=O)[C@@](O)(c1ccc(OC)cc1)[C@H]1CCC(=O)O1
InChIInChI=1S/C14H16O6/c1-18-10-5-3-9(4-6-10)14(17,13(16)19-2)11-7-8-12(15)20-11/h3-6,11,17H,7-8H2,1-2H3/t11-,14-/m1/s1
InChIKeyDFYKSKJSOPPHOR-BXUZGUMPSA-N
XLogP0.76
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one
CID 132579136
(5R)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-one
CID 10786507
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
(5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one
CID 129394807
(5R,6R)-5-(4-methoxyphenyl)-6-methyloxan-2-one
CID 15417025
methyl 2-[(2S)-2-(4-methoxyphenyl)-5-oxooxolan-2-yl]-2-methylpropanoate
CID 7056870
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
methyl 2-(cyclohexylamino)-2-(4-methoxyphenyl)propanoate
CID 60998069
methyl 2-di(propan-2-yloxy)phosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetate
CID 102113865
(4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-2-yl]prop-2-enoate
CID 11055378
cyclopropyl-(4-fluorophenyl)-(4-methoxyphenyl)methanol
CID 154301932
ethyl 2-iodo-2-[(2R)-5-oxooxolan-2-yl]propanoate
CID 15642349

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate?
The IUPAC name of methyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate (CID 177408752) is methyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate is COC(=O)[C@@](O)(c1ccc(OC)cc1)[C@H]1CCC(=O)O1.
What is the InChIKey of methyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate?
The InChIKey is DFYKSKJSOPPHOR-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H16O6/c1-18-10-5-3-9(4-6-10)14(17,13(16)19-2)11-7-8-12(15)20-11/h3-6,11,17H,7-8H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate?
methyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate has a molecular weight of 280.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate is sourced from PubChem (CID 177408752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).