(2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one

C18H26O6 — CID 11515589

IUPAC(2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one
SMILESCO[C@]1(C)OC[C@@H]([C@H](O)[C@H](C)C(=O)c2ccccc2)O[C@@]1(C)OC
InChIInChI=1S/C18H26O6/c1-12(15(19)13-9-7-6-8-10-13)16(20)14-11-23-17(2,21-4)18(3,22-5)24-14/h6-10,12,14,16,20H,11H2,1-5H3/t12-,14+,16-,17-,18-/m1/s1
InChIKeyUUKLWYKLFHODMZ-PYHPYESLSA-N
MW338.40 g/mol
LogP2.01
Rot. Bonds6

About (2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one

(2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one (PubChem CID 11515589) has the molecular formula C18H26O6 and a molecular weight of 338.40 g/mol. Its IUPAC name is (2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one
PubChem CID11515589
Molecular FormulaC18H26O6
Molecular Weight338.40 g/mol
Exact Mass338.17
IUPAC Name(2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one
SMILESCO[C@]1(C)OC[C@@H]([C@H](O)[C@H](C)C(=O)c2ccccc2)O[C@@]1(C)OC
InChIInChI=1S/C18H26O6/c1-12(15(19)13-9-7-6-8-10-13)16(20)14-11-23-17(2,21-4)18(3,22-5)24-14/h6-10,12,14,16,20H,11H2,1-5H3/t12-,14+,16-,17-,18-/m1/s1
InChIKeyUUKLWYKLFHODMZ-PYHPYESLSA-N
XLogP2.01
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[(2R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol
CID 135037817
(1R)-1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-yn-1-ol
CID 11322167
(2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 134997515
3,3-dimethoxy-2-methyl-1-phenylpropan-1-one
CID 12709072
(R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol
CID 102046630
ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-phenylpropanoate
CID 59008167
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]benzamide
CID 122388100
[(1S,8S)-9-hydroxy-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecan-2-yl] benzoate
CID 156587407
1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone
CID 11287407
3-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 58451645
[(2R,3S)-2,3-diacetyloxy-3-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]propyl] acetate
CID 101414894
4-methoxy-2,3-dimethyl-1-phenylbutan-1-one
CID 104845056

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one?
The IUPAC name of (2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one (CID 11515589) is (2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for (2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for (2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one is CO[C@]1(C)OC[C@@H]([C@H](O)[C@H](C)C(=O)c2ccccc2)O[C@@]1(C)OC.
What is the InChIKey of (2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one?
The InChIKey is UUKLWYKLFHODMZ-PYHPYESLSA-N. The full InChI is InChI=1S/C18H26O6/c1-12(15(19)13-9-7-6-8-10-13)16(20)14-11-23-17(2,21-4)18(3,22-5)24-14/h6-10,12,14,16,20H,11H2,1-5H3/t12-,14+,16-,17-,18-/m1/s1.
What are the key properties of (2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one?
(2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one has a molecular weight of 338.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 11515589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).