(5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one

C12H14O4 — CID 132579136

IUPAC(5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one
SMILESCOc1ccc([C@@H](O)[C@@H]2CCC(=O)O2)cc1
InChIInChI=1S/C12H14O4/c1-15-9-4-2-8(3-5-9)12(14)10-6-7-11(13)16-10/h2-5,10,12,14H,6-7H2,1H3/t10-,12+/m0/s1
InChIKeyKOVMUPCRWQOUFA-CMPLNLGQSA-N
MW222.24 g/mol
LogP1.43
Rot. Bonds3

About (5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one

(5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one (PubChem CID 132579136) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is (5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one
PubChem CID132579136
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name(5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one
SMILESCOc1ccc([C@@H](O)[C@@H]2CCC(=O)O2)cc1
InChIInChI=1S/C12H14O4/c1-15-9-4-2-8(3-5-9)12(14)10-6-7-11(13)16-10/h2-5,10,12,14H,6-7H2,1H3/t10-,12+/m0/s1
InChIKeyKOVMUPCRWQOUFA-CMPLNLGQSA-N
XLogP1.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(4-methoxyphenyl)oxolan-2-one
CID 12862881
(5R)-5-[(1R,2Z,4E)-1-(4-methoxyphenoxy)hexa-2,4-dienyl]oxolan-2-one
CID 102186934
(5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one
CID 129394807
(5R,6R)-5-(4-methoxyphenyl)-6-methyloxan-2-one
CID 15417025
(S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol
CID 10754804
(4-methoxyphenyl)-(2-methylcyclopentyl)methanol
CID 107181512
3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one
CID 3261908
(3S)-3-[(R)-hydroxy-(4-methoxyphenyl)methyl]thian-4-one
CID 101382556
(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one
CID 95989438
methyl (2R)-2-hydroxy-2-(4-methoxyphenyl)-2-[(2R)-5-oxooxolan-2-yl]acetate
CID 177408752
5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one
CID 130803122
ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
CID 142507524

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one (CID 132579136) is (5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one is COc1ccc([C@@H](O)[C@@H]2CCC(=O)O2)cc1.
What is the InChIKey of (5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one?
The InChIKey is KOVMUPCRWQOUFA-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H14O4/c1-15-9-4-2-8(3-5-9)12(14)10-6-7-11(13)16-10/h2-5,10,12,14H,6-7H2,1H3/t10-,12+/m0/s1.
What are the key properties of (5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one?
(5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one has a molecular weight of 222.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one is sourced from PubChem (CID 132579136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).