[(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol

C15H22O5 — CID 53465513

IUPAC[(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol
SMILESCOc1ccc(COC2C[C@](C)(CO)O[C@@H]2CO)cc1
InChIInChI=1S/C15H22O5/c1-15(10-17)7-13(14(8-16)20-15)19-9-11-3-5-12(18-2)6-4-11/h3-6,13-14,16-17H,7-10H2,1-2H3/t13?,14-,15-/m1/s1
InChIKeyVHTAGMZLQLKTOY-JVIGXAJISA-N
MW282.34 g/mol
LogP1.11
Rot. Bonds6

About [(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol

[(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol (PubChem CID 53465513) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is [(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol
PubChem CID53465513
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name[(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol
SMILESCOc1ccc(COC2C[C@](C)(CO)O[C@@H]2CO)cc1
InChIInChI=1S/C15H22O5/c1-15(10-17)7-13(14(8-16)20-15)19-9-11-3-5-12(18-2)6-4-11/h3-6,13-14,16-17H,7-10H2,1-2H3/t13?,14-,15-/m1/s1
InChIKeyVHTAGMZLQLKTOY-JVIGXAJISA-N
XLogP1.11
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.11
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
(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
CID 171122948
[(2R,3R,4S,5R,6S)-5-[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)oxan-2-yl]methanol
CID 11365130
[(2R,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol
CID 102128098
[(2R,3R,4S,5R,6R)-6-methoxy-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 101103346
[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol
CID 101181245
[(2R,3S,4R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methanol
CID 56965248
(1R,4S,5S)-5-[(4-methoxyphenyl)methoxy]-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
CID 100964570
(1R,3S,7R,9R)-8-[(4-methoxyphenyl)methoxy]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 11646597
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol
CID 16720719
[(4R)-2-[(4-methoxyphenyl)methyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol
CID 910157

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol?
The IUPAC name of [(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol (CID 53465513) is [(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol is COc1ccc(COC2C[C@](C)(CO)O[C@@H]2CO)cc1.
What is the InChIKey of [(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol?
The InChIKey is VHTAGMZLQLKTOY-JVIGXAJISA-N. The full InChI is InChI=1S/C15H22O5/c1-15(10-17)7-13(14(8-16)20-15)19-9-11-3-5-12(18-2)6-4-11/h3-6,13-14,16-17H,7-10H2,1-2H3/t13?,14-,15-/m1/s1.
What are the key properties of [(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol?
[(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol has a molecular weight of 282.34 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-(hydroxymethyl)-3-[(4-methoxyphenyl)methoxy]-5-methyloxolan-2-yl]methanol is sourced from PubChem (CID 53465513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).