(2S)-2-methyl-6-phenyl-1,4-dioxane

C11H14O2 — CID 130461475

IUPAC(2S)-2-methyl-6-phenyl-1,4-dioxane
SMILESC[C@H]1COCC(c2ccccc2)O1
InChIInChI=1S/C11H14O2/c1-9-7-12-8-11(13-9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11?/m0/s1
InChIKeySMCWBHYSQWIHAT-FTNKSUMCSA-N
MW178.23 g/mol
LogP2.16
Rot. Bonds1

About (2S)-2-methyl-6-phenyl-1,4-dioxane

(2S)-2-methyl-6-phenyl-1,4-dioxane (PubChem CID 130461475) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2S)-2-methyl-6-phenyl-1,4-dioxane.

Molecular Properties

Compound Name(2S)-2-methyl-6-phenyl-1,4-dioxane
PubChem CID130461475
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(2S)-2-methyl-6-phenyl-1,4-dioxane
SMILESC[C@H]1COCC(c2ccccc2)O1
InChIInChI=1S/C11H14O2/c1-9-7-12-8-11(13-9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11?/m0/s1
InChIKeySMCWBHYSQWIHAT-FTNKSUMCSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-6-phenyl-1,4-dioxane?
The IUPAC name of (2S)-2-methyl-6-phenyl-1,4-dioxane (CID 130461475) is (2S)-2-methyl-6-phenyl-1,4-dioxane.
What is the SMILES notation for (2S)-2-methyl-6-phenyl-1,4-dioxane?
The canonical SMILES for (2S)-2-methyl-6-phenyl-1,4-dioxane is C[C@H]1COCC(c2ccccc2)O1.
What is the InChIKey of (2S)-2-methyl-6-phenyl-1,4-dioxane?
The InChIKey is SMCWBHYSQWIHAT-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H14O2/c1-9-7-12-8-11(13-9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11?/m0/s1.
What are the key properties of (2S)-2-methyl-6-phenyl-1,4-dioxane?
(2S)-2-methyl-6-phenyl-1,4-dioxane has a molecular weight of 178.23 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-6-phenyl-1,4-dioxane is sourced from PubChem (CID 130461475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).