2,2-bis(phenylmethoxymethyl)-1,3-dioxane

C20H24O4 — CID 59792450

IUPAC2,2-bis(phenylmethoxymethyl)-1,3-dioxane
SMILESc1ccc(COCC2(COCc3ccccc3)OCCCO2)cc1
InChIInChI=1S/C20H24O4/c1-3-8-18(9-4-1)14-21-16-20(23-12-7-13-24-20)17-22-15-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2
InChIKeyNLAIXAKRWUXYKZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.55
Rot. Bonds8

About 2,2-bis(phenylmethoxymethyl)-1,3-dioxane

2,2-bis(phenylmethoxymethyl)-1,3-dioxane (PubChem CID 59792450) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2,2-bis(phenylmethoxymethyl)-1,3-dioxane.

Molecular Properties

Compound Name2,2-bis(phenylmethoxymethyl)-1,3-dioxane
PubChem CID59792450
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name2,2-bis(phenylmethoxymethyl)-1,3-dioxane
SMILESc1ccc(COCC2(COCc3ccccc3)OCCCO2)cc1
InChIInChI=1S/C20H24O4/c1-3-8-18(9-4-1)14-21-16-20(23-12-7-13-24-20)17-22-15-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2
InChIKeyNLAIXAKRWUXYKZ-UHFFFAOYSA-N
XLogP3.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-bis(phenylmethoxymethyl)-1,3-dioxane 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

2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane
CID 142703154
3,3-bis(phenylmethoxymethyl)azetidine
CID 139666551
[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
CID 159973315
3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
(3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one
CID 176589467
3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 14395384
2-methyl-2-(2-phenylmethoxyethyl)oxolane
CID 151587954
N-methyl-1-[1-(phenylmethoxymethyl)cyclopentyl]methanamine
CID 102940486
2-[1-(phenylmethoxymethyl)cyclopropyl]ethanamine
CID 65480359
1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile
CID 97033912

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(phenylmethoxymethyl)-1,3-dioxane?
The IUPAC name of 2,2-bis(phenylmethoxymethyl)-1,3-dioxane (CID 59792450) is 2,2-bis(phenylmethoxymethyl)-1,3-dioxane.
What is the SMILES notation for 2,2-bis(phenylmethoxymethyl)-1,3-dioxane?
The canonical SMILES for 2,2-bis(phenylmethoxymethyl)-1,3-dioxane is c1ccc(COCC2(COCc3ccccc3)OCCCO2)cc1.
What is the InChIKey of 2,2-bis(phenylmethoxymethyl)-1,3-dioxane?
The InChIKey is NLAIXAKRWUXYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-3-8-18(9-4-1)14-21-16-20(23-12-7-13-24-20)17-22-15-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2.
What are the key properties of 2,2-bis(phenylmethoxymethyl)-1,3-dioxane?
2,2-bis(phenylmethoxymethyl)-1,3-dioxane has a molecular weight of 328.41 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(phenylmethoxymethyl)-1,3-dioxane is sourced from PubChem (CID 59792450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).