(2R)-2-[(2R,3S,4R)-3-[(2-chlorophenyl)methoxy]-4-(2-hydroxyethoxy)-5-methoxyoxolan-2-yl]propan-1-ol

C17H25ClO6 — CID 154241138

IUPAC(2R)-2-[(2R,3S,4R)-3-[(2-chlorophenyl)methoxy]-4-(2-hydroxyethoxy)-5-methoxyoxolan-2-yl]propan-1-ol
SMILESCOC1O[C@H]([C@H](C)CO)[C@H](OCc2ccccc2Cl)[C@H]1OCCO
InChIInChI=1S/C17H25ClO6/c1-11(9-20)14-15(16(22-8-7-19)17(21-2)24-14)23-10-12-5-3-4-6-13(12)18/h3-6,11,14-17,19-20H,7-10H2,1-2H3/t11-,14-,15+,16-,17?/m1/s1
InChIKeyCZAYBUAORWDOPQ-YWEUSYBESA-N
MW360.83 g/mol
LogP1.60
Rot. Bonds9

About (2R)-2-[(2R,3S,4R)-3-[(2-chlorophenyl)methoxy]-4-(2-hydroxyethoxy)-5-methoxyoxolan-2-yl]propan-1-ol

(2R)-2-[(2R,3S,4R)-3-[(2-chlorophenyl)methoxy]-4-(2-hydroxyethoxy)-5-methoxyoxolan-2-yl]propan-1-ol (PubChem CID 154241138) has the molecular formula C17H25ClO6 and a molecular weight of 360.83 g/mol. Its IUPAC name is (2R)-2-[(2R,3S,4R)-3-[(2-chlorophenyl)methoxy]-4-(2-hydroxyethoxy)-5-methoxyoxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2R,3S,4R)-3-[(2-chlorophenyl)methoxy]-4-(2-hydroxyethoxy)-5-methoxyoxolan-2-yl]propan-1-ol
PubChem CID154241138
Molecular FormulaC17H25ClO6
Molecular Weight360.83 g/mol
Exact Mass360.13
IUPAC Name(2R)-2-[(2R,3S,4R)-3-[(2-chlorophenyl)methoxy]-4-(2-hydroxyethoxy)-5-methoxyoxolan-2-yl]propan-1-ol
SMILESCOC1O[C@H]([C@H](C)CO)[C@H](OCc2ccccc2Cl)[C@H]1OCCO
InChIInChI=1S/C17H25ClO6/c1-11(9-20)14-15(16(22-8-7-19)17(21-2)24-14)23-10-12-5-3-4-6-13(12)18/h3-6,11,14-17,19-20H,7-10H2,1-2H3/t11-,14-,15+,16-,17?/m1/s1
InChIKeyCZAYBUAORWDOPQ-YWEUSYBESA-N
XLogP1.60
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4R,5R)-4-[(2-chlorophenyl)methoxy]-5-ethyl-2-methoxyoxolan-3-ol
CID 154202641
(1R)-1-[(2S,3S,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 22215147
1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 123779801
(1S,2R,3R,4S)-2-[(2-chlorophenyl)methoxy]-3-methoxy-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 170702899
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
(1R)-1-[(3aR,5R,6S,6aR)-6-[(2-chlorophenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
CID 13454063
N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide
CID 90113505
2-[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 67629587
[(2R,3R,4S,5R,6S)-3,4,5-tris[(4-chlorophenyl)methoxy]-6-methoxyoxan-2-yl]methanol
CID 11146184
3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine
CID 104674447
1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,3S,4R)-3-[(2-chlorophenyl)methoxy]-4-(2-hydroxyethoxy)-5-methoxyoxolan-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-[(2R,3S,4R)-3-[(2-chlorophenyl)methoxy]-4-(2-hydroxyethoxy)-5-methoxyoxolan-2-yl]propan-1-ol (CID 154241138) is (2R)-2-[(2R,3S,4R)-3-[(2-chlorophenyl)methoxy]-4-(2-hydroxyethoxy)-5-methoxyoxolan-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-[(2R,3S,4R)-3-[(2-chlorophenyl)methoxy]-4-(2-hydroxyethoxy)-5-methoxyoxolan-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-[(2R,3S,4R)-3-[(2-chlorophenyl)methoxy]-4-(2-hydroxyethoxy)-5-methoxyoxolan-2-yl]propan-1-ol is COC1O[C@H]([C@H](C)CO)[C@H](OCc2ccccc2Cl)[C@H]1OCCO.
What is the InChIKey of (2R)-2-[(2R,3S,4R)-3-[(2-chlorophenyl)methoxy]-4-(2-hydroxyethoxy)-5-methoxyoxolan-2-yl]propan-1-ol?
The InChIKey is CZAYBUAORWDOPQ-YWEUSYBESA-N. The full InChI is InChI=1S/C17H25ClO6/c1-11(9-20)14-15(16(22-8-7-19)17(21-2)24-14)23-10-12-5-3-4-6-13(12)18/h3-6,11,14-17,19-20H,7-10H2,1-2H3/t11-,14-,15+,16-,17?/m1/s1.
What are the key properties of (2R)-2-[(2R,3S,4R)-3-[(2-chlorophenyl)methoxy]-4-(2-hydroxyethoxy)-5-methoxyoxolan-2-yl]propan-1-ol?
(2R)-2-[(2R,3S,4R)-3-[(2-chlorophenyl)methoxy]-4-(2-hydroxyethoxy)-5-methoxyoxolan-2-yl]propan-1-ol has a molecular weight of 360.83 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,3S,4R)-3-[(2-chlorophenyl)methoxy]-4-(2-hydroxyethoxy)-5-methoxyoxolan-2-yl]propan-1-ol is sourced from PubChem (CID 154241138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).