[(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol

C13H18O4 — CID 156513644

IUPAC[(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol
SMILESCO[C@@H]1[C@H](OC)[C@@H](CO)O[C@H]1c1ccccc1
InChIInChI=1S/C13H18O4/c1-15-12-10(8-14)17-11(13(12)16-2)9-6-4-3-5-7-9/h3-7,10-14H,8H2,1-2H3/t10-,11+,12-,13+/m1/s1
InChIKeyPTWPELURMPJWAR-XQHKEYJVSA-N
MW238.28 g/mol
LogP1.15
Rot. Bonds4

About [(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol

[(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol (PubChem CID 156513644) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is [(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol
PubChem CID156513644
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name[(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol
SMILESCO[C@@H]1[C@H](OC)[C@@H](CO)O[C@H]1c1ccccc1
InChIInChI=1S/C13H18O4/c1-15-12-10(8-14)17-11(13(12)16-2)9-6-4-3-5-7-9/h3-7,10-14H,8H2,1-2H3/t10-,11+,12-,13+/m1/s1
InChIKeyPTWPELURMPJWAR-XQHKEYJVSA-N
XLogP1.15
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol?
The IUPAC name of [(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol (CID 156513644) is [(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol is CO[C@@H]1[C@H](OC)[C@@H](CO)O[C@H]1c1ccccc1.
What is the InChIKey of [(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol?
The InChIKey is PTWPELURMPJWAR-XQHKEYJVSA-N. The full InChI is InChI=1S/C13H18O4/c1-15-12-10(8-14)17-11(13(12)16-2)9-6-4-3-5-7-9/h3-7,10-14H,8H2,1-2H3/t10-,11+,12-,13+/m1/s1.
What are the key properties of [(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol?
[(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol has a molecular weight of 238.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol is sourced from PubChem (CID 156513644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).