(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol

C13H18O4 — CID 11746679

IUPAC(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
SMILESCO[C@H]1C[C@H](O)[C@H](OCc2ccccc2)CO1
InChIInChI=1S/C13H18O4/c1-15-13-7-11(14)12(9-17-13)16-8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+,13+/m0/s1
InChIKeyDQZBPBKXRXXNSG-YNEHKIRRSA-N
MW238.28 g/mol
LogP1.33
Rot. Bonds4

About (2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol

(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol (PubChem CID 11746679) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is (2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol.

Molecular Properties

Compound Name(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
PubChem CID11746679
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
SMILESCO[C@H]1C[C@H](O)[C@H](OCc2ccccc2)CO1
InChIInChI=1S/C13H18O4/c1-15-13-7-11(14)12(9-17-13)16-8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+,13+/m0/s1
InChIKeyDQZBPBKXRXXNSG-YNEHKIRRSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol?
The IUPAC name of (2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol (CID 11746679) is (2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol.
What is the SMILES notation for (2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol?
The canonical SMILES for (2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol is CO[C@H]1C[C@H](O)[C@H](OCc2ccccc2)CO1.
What is the InChIKey of (2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol?
The InChIKey is DQZBPBKXRXXNSG-YNEHKIRRSA-N. The full InChI is InChI=1S/C13H18O4/c1-15-13-7-11(14)12(9-17-13)16-8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+,13+/m0/s1.
What are the key properties of (2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol?
(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol has a molecular weight of 238.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol is sourced from PubChem (CID 11746679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).