(4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane

C21H26O3 — CID 164671822

IUPAC(4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane
SMILESCC1(C)OC[C@@H](COC(C)(C)c2ccc(-c3ccccc3)cc2)O1
InChIInChI=1S/C21H26O3/c1-20(2,22-14-19-15-23-21(3,4)24-19)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,19H,14-15H2,1-4H3/t19-/m1/s1
InChIKeyWMTNCKAXAZTFJO-LJQANCHMSA-N
MW326.44 g/mol
LogP4.76
Rot. Bonds5

About (4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane

(4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane (PubChem CID 164671822) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane
PubChem CID164671822
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name(4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane
SMILESCC1(C)OC[C@@H](COC(C)(C)c2ccc(-c3ccccc3)cc2)O1
InChIInChI=1S/C21H26O3/c1-20(2,22-14-19-15-23-21(3,4)24-19)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,19H,14-15H2,1-4H3/t19-/m1/s1
InChIKeyWMTNCKAXAZTFJO-LJQANCHMSA-N
XLogP4.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane?
The IUPAC name of (4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane (CID 164671822) is (4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane.
What is the SMILES notation for (4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane?
The canonical SMILES for (4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane is CC1(C)OC[C@@H](COC(C)(C)c2ccc(-c3ccccc3)cc2)O1.
What is the InChIKey of (4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane?
The InChIKey is WMTNCKAXAZTFJO-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26O3/c1-20(2,22-14-19-15-23-21(3,4)24-19)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,19H,14-15H2,1-4H3/t19-/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane?
(4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane has a molecular weight of 326.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-4-[2-(4-phenylphenyl)propan-2-yloxymethyl]-1,3-dioxolane is sourced from PubChem (CID 164671822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).