(4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol

C13H18O5 — CID 171123464

IUPAC(4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol
SMILESCOc1ccc(COC[C@@H]2OC(O)C[C@@H]2O)cc1
InChIInChI=1S/C13H18O5/c1-16-10-4-2-9(3-5-10)7-17-8-12-11(14)6-13(15)18-12/h2-5,11-15H,6-8H2,1H3/t11-,12-,13?/m0/s1
InChIKeyQWBOMMNRVWEYCR-VYAYZGMFSA-N
MW254.28 g/mol
LogP0.68
Rot. Bonds5

About (4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol

(4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol (PubChem CID 171123464) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is (4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol.

Molecular Properties

Compound Name(4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol
PubChem CID171123464
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol
SMILESCOc1ccc(COC[C@@H]2OC(O)C[C@@H]2O)cc1
InChIInChI=1S/C13H18O5/c1-16-10-4-2-9(3-5-10)7-17-8-12-11(14)6-13(15)18-12/h2-5,11-15H,6-8H2,1H3/t11-,12-,13?/m0/s1
InChIKeyQWBOMMNRVWEYCR-VYAYZGMFSA-N
XLogP0.68
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
CID 171124705
(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol
CID 122398669
[(2S,3R,4S,5S,6R)-4-methoxy-6-[(4-methoxyphenyl)methoxymethyl]-3,5-dimethyloxan-2-yl]methanol
CID 102300419
6-[(4-methoxyphenyl)methoxymethyl]-4-prop-2-enoxyoxane-2,3,5-triol
CID 171126360
(2S,3R,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]-5-methyloxolane
CID 59994424
(2S,3R,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 171125035
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
(2S,3R,5Z,9S)-2-[(4-methoxyphenyl)methoxymethyl]-9-(phenylmethoxymethyl)-2,3,4,7,8,9-hexahydrooxonin-3-ol
CID 134931156
(2R,3R,4S,5S,6R)-3,4-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-5-phenylmethoxyoxan-2-ol
CID 171123644
(2R,3S,5S)-2-fluoro-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-[(4-methoxyphenyl)methoxymethyl]oxane
CID 45039283
[(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]methanol
CID 11053700
(2R,3R,4S,5R,6S)-6-ethylsulfanyl-5-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)methoxymethyl]oxane-3,4-diol
CID 22879001

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol?
The IUPAC name of (4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol (CID 171123464) is (4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol.
What is the SMILES notation for (4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol?
The canonical SMILES for (4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol is COc1ccc(COC[C@@H]2OC(O)C[C@@H]2O)cc1.
What is the InChIKey of (4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol?
The InChIKey is QWBOMMNRVWEYCR-VYAYZGMFSA-N. The full InChI is InChI=1S/C13H18O5/c1-16-10-4-2-9(3-5-10)7-17-8-12-11(14)6-13(15)18-12/h2-5,11-15H,6-8H2,1H3/t11-,12-,13?/m0/s1.
What are the key properties of (4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol?
(4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol has a molecular weight of 254.28 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol is sourced from PubChem (CID 171123464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).