(4R)-4-(2-methoxyphenoxy)-2,2-dimethyl-1,3-dioxolane

C12H16O4 — CID 18645650

IUPAC(4R)-4-(2-methoxyphenoxy)-2,2-dimethyl-1,3-dioxolane
SMILESCOc1ccccc1O[C@H]1COC(C)(C)O1
InChIInChI=1S/C12H16O4/c1-12(2)14-8-11(16-12)15-10-7-5-4-6-9(10)13-3/h4-7,11H,8H2,1-3H3/t11-/m1/s1
InChIKeyUQJIWSCKZLHKGD-LLVKDONJSA-N
MW224.26 g/mol
LogP2.18
Rot. Bonds3

About (4R)-4-(2-methoxyphenoxy)-2,2-dimethyl-1,3-dioxolane

(4R)-4-(2-methoxyphenoxy)-2,2-dimethyl-1,3-dioxolane (PubChem CID 18645650) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is (4R)-4-(2-methoxyphenoxy)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-(2-methoxyphenoxy)-2,2-dimethyl-1,3-dioxolane
PubChem CID18645650
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name(4R)-4-(2-methoxyphenoxy)-2,2-dimethyl-1,3-dioxolane
SMILESCOc1ccccc1O[C@H]1COC(C)(C)O1
InChIInChI=1S/C12H16O4/c1-12(2)14-8-11(16-12)15-10-7-5-4-6-9(10)13-3/h4-7,11H,8H2,1-3H3/t11-/m1/s1
InChIKeyUQJIWSCKZLHKGD-LLVKDONJSA-N
XLogP2.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methoxyphenoxy)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-(2-methoxyphenoxy)-2,2-dimethyl-1,3-dioxolane (CID 18645650) is (4R)-4-(2-methoxyphenoxy)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-(2-methoxyphenoxy)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-(2-methoxyphenoxy)-2,2-dimethyl-1,3-dioxolane is COc1ccccc1O[C@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-4-(2-methoxyphenoxy)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is UQJIWSCKZLHKGD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16O4/c1-12(2)14-8-11(16-12)15-10-7-5-4-6-9(10)13-3/h4-7,11H,8H2,1-3H3/t11-/m1/s1.
What are the key properties of (4R)-4-(2-methoxyphenoxy)-2,2-dimethyl-1,3-dioxolane?
(4R)-4-(2-methoxyphenoxy)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 224.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methoxyphenoxy)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 18645650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).