[(2S,3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-methoxyoxolan-3-yl]methanol

C21H24Cl2O5 — CID 11407687

IUPAC[(2S,3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-methoxyoxolan-3-yl]methanol
SMILESCO[C@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](OCc2ccc(Cl)cc2)[C@H]1CO
InChIInChI=1S/C21H24Cl2O5/c1-25-21-18(10-24)20(27-12-15-4-8-17(23)9-5-15)19(28-21)13-26-11-14-2-6-16(22)7-3-14/h2-9,18-21,24H,10-13H2,1H3/t18-,19-,20+,21+/m1/s1
InChIKeyVBRXRWMMIJEJAU-CGXNFDGLSA-N
MW427.32 g/mol
LogP4.08
Rot. Bonds9

About [(2S,3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-methoxyoxolan-3-yl]methanol

[(2S,3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-methoxyoxolan-3-yl]methanol (PubChem CID 11407687) has the molecular formula C21H24Cl2O5 and a molecular weight of 427.32 g/mol. Its IUPAC name is [(2S,3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-methoxyoxolan-3-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-methoxyoxolan-3-yl]methanol
PubChem CID11407687
Molecular FormulaC21H24Cl2O5
Molecular Weight427.32 g/mol
Exact Mass426.10
IUPAC Name[(2S,3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-methoxyoxolan-3-yl]methanol
SMILESCO[C@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](OCc2ccc(Cl)cc2)[C@H]1CO
InChIInChI=1S/C21H24Cl2O5/c1-25-21-18(10-24)20(27-12-15-4-8-17(23)9-5-15)19(28-21)13-26-11-14-2-6-16(22)7-3-14/h2-9,18-21,24H,10-13H2,1H3/t18-,19-,20+,21+/m1/s1
InChIKeyVBRXRWMMIJEJAU-CGXNFDGLSA-N
XLogP4.08
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R,5R,6R)-6-[(4-chlorophenyl)methoxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 22956578
[(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol
CID 11146184
(2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane
CID 166519075
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2R,3R,4S,5R,6R)-2-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 10863561
(2R,3R,4R,5S,6R)-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane-3,4-diol
CID 102496220
[(2R,3R,4S,5S)-5-[(2S,3S,4R,5R)-2-methoxy-5-[(4-methoxyphenyl)methoxymethyl]-4-phenylmethoxyoxolan-3-yl]oxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 46895944
(3R,4R,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 126693162
(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-methoxyoxolan-3-yl]methanol?
The IUPAC name of [(2S,3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-methoxyoxolan-3-yl]methanol (CID 11407687) is [(2S,3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-methoxyoxolan-3-yl]methanol.
What is the SMILES notation for [(2S,3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-methoxyoxolan-3-yl]methanol?
The canonical SMILES for [(2S,3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-methoxyoxolan-3-yl]methanol is CO[C@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](OCc2ccc(Cl)cc2)[C@H]1CO.
What is the InChIKey of [(2S,3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-methoxyoxolan-3-yl]methanol?
The InChIKey is VBRXRWMMIJEJAU-CGXNFDGLSA-N. The full InChI is InChI=1S/C21H24Cl2O5/c1-25-21-18(10-24)20(27-12-15-4-8-17(23)9-5-15)19(28-21)13-26-11-14-2-6-16(22)7-3-14/h2-9,18-21,24H,10-13H2,1H3/t18-,19-,20+,21+/m1/s1.
What are the key properties of [(2S,3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-methoxyoxolan-3-yl]methanol?
[(2S,3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-methoxyoxolan-3-yl]methanol has a molecular weight of 427.32 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5R)-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-methoxyoxolan-3-yl]methanol is sourced from PubChem (CID 11407687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).