(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol

C13H18O5 — CID 171124705

IUPAC(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
SMILESCOc1ccc(CO[C@@H]2C[C@H](O)O[C@@H]2CO)cc1
InChIInChI=1S/C13H18O5/c1-16-10-4-2-9(3-5-10)8-17-11-6-13(15)18-12(11)7-14/h2-5,11-15H,6-8H2,1H3/t11-,12-,13-/m1/s1
InChIKeyFCWKRYPVUAJMBV-JHJVBQTASA-N
MW254.28 g/mol
LogP0.68
Rot. Bonds5

About (2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol

(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol (PubChem CID 171124705) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is (2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol.

Molecular Properties

Compound Name(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
PubChem CID171124705
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
SMILESCOc1ccc(CO[C@@H]2C[C@H](O)O[C@@H]2CO)cc1
InChIInChI=1S/C13H18O5/c1-16-10-4-2-9(3-5-10)8-17-11-6-13(15)18-12(11)7-14/h2-5,11-15H,6-8H2,1H3/t11-,12-,13-/m1/s1
InChIKeyFCWKRYPVUAJMBV-JHJVBQTASA-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,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol
CID 102128098
(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
CID 171122948
(4S,5S)-5-[(4-methoxyphenyl)methoxymethyl]oxolane-2,4-diol
CID 171123464
(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol
CID 122398669
[(2R,3S,4R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methanol
CID 56965248
[(2R,3R,4S,5R,6S)-5-[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)oxan-2-yl]methanol
CID 11365130
[(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol
CID 53465513
[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol
CID 101181245
[(2R,3R,4S,5R,6R)-6-methoxy-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 101103346
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]-6-prop-2-enoxyoxane-3,5-diol
CID 23255634
[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol
CID 70448323
(2R,4R,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-methyloxan-2-yl]oxy-6-methyl-4-phenylmethoxyoxan-2-ol
CID 171126123

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol?
The IUPAC name of (2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol (CID 171124705) is (2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol.
What is the SMILES notation for (2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol?
The canonical SMILES for (2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol is COc1ccc(CO[C@@H]2C[C@H](O)O[C@@H]2CO)cc1.
What is the InChIKey of (2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol?
The InChIKey is FCWKRYPVUAJMBV-JHJVBQTASA-N. The full InChI is InChI=1S/C13H18O5/c1-16-10-4-2-9(3-5-10)8-17-11-6-13(15)18-12(11)7-14/h2-5,11-15H,6-8H2,1H3/t11-,12-,13-/m1/s1.
What are the key properties of (2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol?
(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol 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 (2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol is sourced from PubChem (CID 171124705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).