[(2R,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol

C16H24O4 — CID 102128098

IUPAC[(2R,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol
SMILESCCC[C@H]1C[C@@H](OCc2ccc(OC)cc2)[C@@H](CO)O1
InChIInChI=1S/C16H24O4/c1-3-4-14-9-15(16(10-17)20-14)19-11-12-5-7-13(18-2)8-6-12/h5-8,14-17H,3-4,9-11H2,1-2H3/t14-,15+,16+/m0/s1
InChIKeyDEKZZYQWMGAELZ-ARFHVFGLSA-N
MW280.36 g/mol
LogP2.53
Rot. Bonds7

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

[(2R,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol (PubChem CID 102128098) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is [(2R,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol
PubChem CID102128098
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name[(2R,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol
SMILESCCC[C@H]1C[C@@H](OCc2ccc(OC)cc2)[C@@H](CO)O1
InChIInChI=1S/C16H24O4/c1-3-4-14-9-15(16(10-17)20-14)19-11-12-5-7-13(18-2)8-6-12/h5-8,14-17H,3-4,9-11H2,1-2H3/t14-,15+,16+/m0/s1
InChIKeyDEKZZYQWMGAELZ-ARFHVFGLSA-N
XLogP2.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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,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,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4,5-di(tetradecoxy)oxan-2-yl]methanol
CID 69040178
[(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
[(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]methanol
CID 11053700
[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol
CID 70448323
(2R,3R,4S,5R,6S)-6-ethylsulfanyl-2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]oxane-3,4-diol
CID 22876210
(2R,3R,4S,6S)-6-(iodomethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxane
CID 10835153

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol?
The IUPAC name of [(2R,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol (CID 102128098) is [(2R,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol?
The canonical SMILES for [(2R,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol is CCC[C@H]1C[C@@H](OCc2ccc(OC)cc2)[C@@H](CO)O1.
What is the InChIKey of [(2R,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol?
The InChIKey is DEKZZYQWMGAELZ-ARFHVFGLSA-N. The full InChI is InChI=1S/C16H24O4/c1-3-4-14-9-15(16(10-17)20-14)19-11-12-5-7-13(18-2)8-6-12/h5-8,14-17H,3-4,9-11H2,1-2H3/t14-,15+,16+/m0/s1.
What are the key properties of [(2R,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol?
[(2R,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol has a molecular weight of 280.36 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-propyloxolan-2-yl]methanol is sourced from PubChem (CID 102128098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).