1-(4-hydroxyphenyl)-2-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]ethanone

C13H16O6 — CID 25115192

IUPAC1-(4-hydroxyphenyl)-2-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]ethanone
SMILESO=C(C[C@H]1C(O)OC[C@@H](O)[C@@H]1O)c1ccc(O)cc1
InChIInChI=1S/C13H16O6/c14-8-3-1-7(2-4-8)10(15)5-9-12(17)11(16)6-19-13(9)18/h1-4,9,11-14,16-18H,5-6H2/t9-,11-,12-,13?/m1/s1
InChIKeyMKWKWPPRHSXZOQ-INCVAACISA-N
MW268.26 g/mol
LogP-0.35
Rot. Bonds3

About 1-(4-hydroxyphenyl)-2-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]ethanone

1-(4-hydroxyphenyl)-2-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]ethanone (PubChem CID 25115192) has the molecular formula C13H16O6 and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]ethanone.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]ethanone
PubChem CID25115192
Molecular FormulaC13H16O6
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Name1-(4-hydroxyphenyl)-2-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]ethanone
SMILESO=C(C[C@H]1C(O)OC[C@@H](O)[C@@H]1O)c1ccc(O)cc1
InChIInChI=1S/C13H16O6/c14-8-3-1-7(2-4-8)10(15)5-9-12(17)11(16)6-19-13(9)18/h1-4,9,11-14,16-18H,5-6H2/t9-,11-,12-,13?/m1/s1
InChIKeyMKWKWPPRHSXZOQ-INCVAACISA-N
XLogP-0.35
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-hydroxyphenyl)-2-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone
CID 25114974
1-(4-hydroxyphenyl)-2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]ethanone
CID 11992820
(2R,3S,4R,5R)-2-(4-hydroxyanilino)oxane-3,4,5-triol
CID 7452610
1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone
CID 71390578
1-(4-fluorophenyl)-2-[(2S,3R,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]ethanone
CID 134930647
(4S,5R)-oxane-2,3,4,5-tetrol
CID 71313478
(2S,3S,4S)-oxolane-2,3,4-triol
CID 10464337
(3S,4R)-(313C)oxolane-2,3,4-triol
CID 90472722
(4S)-oxane-2,3,4,5-tetrol
CID 135265936
(2R)-3,4-dihydroxyoxolane-2-carboxylic acid
CID 138535006
2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone
CID 43796516
2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone
CID 11694682

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]ethanone?
The IUPAC name of 1-(4-hydroxyphenyl)-2-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]ethanone (CID 25115192) is 1-(4-hydroxyphenyl)-2-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]ethanone.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]ethanone?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]ethanone is O=C(C[C@H]1C(O)OC[C@@H](O)[C@@H]1O)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]ethanone?
The InChIKey is MKWKWPPRHSXZOQ-INCVAACISA-N. The full InChI is InChI=1S/C13H16O6/c14-8-3-1-7(2-4-8)10(15)5-9-12(17)11(16)6-19-13(9)18/h1-4,9,11-14,16-18H,5-6H2/t9-,11-,12-,13?/m1/s1.
What are the key properties of 1-(4-hydroxyphenyl)-2-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]ethanone?
1-(4-hydroxyphenyl)-2-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]ethanone has a molecular weight of 268.26 g/mol, XLogP of -0.35, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-[(3R,4R,5R)-2,4,5-trihydroxyoxan-3-yl]ethanone is sourced from PubChem (CID 25115192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).