(4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane

C13H18O3 — CID 25233008

IUPAC(4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane
SMILESCOc1ccc(C2O[C@H](C)C[C@@H](C)O2)cc1
InChIInChI=1S/C13H18O3/c1-9-8-10(2)16-13(15-9)11-4-6-12(14-3)7-5-11/h4-7,9-10,13H,8H2,1-3H3/t9-,10-/m1/s1
InChIKeyFGAWKPCAKYSBJV-NXEZZACHSA-N
MW222.28 g/mol
LogP2.91
Rot. Bonds2

About (4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane

(4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane (PubChem CID 25233008) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name(4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane
PubChem CID25233008
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane
SMILESCOc1ccc(C2O[C@H](C)C[C@@H](C)O2)cc1
InChIInChI=1S/C13H18O3/c1-9-8-10(2)16-13(15-9)11-4-6-12(14-3)7-5-11/h4-7,9-10,13H,8H2,1-3H3/t9-,10-/m1/s1
InChIKeyFGAWKPCAKYSBJV-NXEZZACHSA-N
XLogP2.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane with MolForge

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Related Compounds

4-(4-methoxyphenyl)-2,6-dimethyl-1,3-oxathiane
CID 20514302
methyl (E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-methyl-1,3-dioxan-4-yl]but-2-enoate
CID 135027244
(2S,4S,5S)-2-(4-methoxyphenyl)-4-[(2S,4S,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-5-methyl-1,3-dioxane
CID 11825831
(2R,4S,5S)-2-(4-methoxyphenyl)-4-methyl-5-(trifluoromethyl)-1,3-dioxolane
CID 101220227
4-(4-methoxyphenyl)-2-methyloxolane
CID 173252493
2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 14681590
CID 59269508
CID 59269508
(2S,4R,5R)-4-[(2R,4R,5R)-5-hydroxy-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-(4-methoxyphenyl)-1,3-dioxan-5-ol
CID 86310159
2-(4-methoxyphenyl)-1,3-dioxan-5-ol
CID 13478629
2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane
CID 18704700
3-(4-methoxyphenyl)-6-methyloxan-2-one
CID 70805918
(2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine
CID 95240960

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane?
The IUPAC name of (4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane (CID 25233008) is (4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane.
What is the SMILES notation for (4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane?
The canonical SMILES for (4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane is COc1ccc(C2O[C@H](C)C[C@@H](C)O2)cc1.
What is the InChIKey of (4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane?
The InChIKey is FGAWKPCAKYSBJV-NXEZZACHSA-N. The full InChI is InChI=1S/C13H18O3/c1-9-8-10(2)16-13(15-9)11-4-6-12(14-3)7-5-11/h4-7,9-10,13H,8H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane?
(4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane has a molecular weight of 222.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane is sourced from PubChem (CID 25233008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).