2-(methoxymethyl)-2-(4-methylphenyl)-1,3-dioxolane

C12H16O3 — CID 23579449

IUPAC2-(methoxymethyl)-2-(4-methylphenyl)-1,3-dioxolane
SMILESCOCC1(c2ccc(C)cc2)OCCO1
InChIInChI=1S/C12H16O3/c1-10-3-5-11(6-4-10)12(9-13-2)14-7-8-15-12/h3-6H,7-9H2,1-2H3
InChIKeyAAXUWCMTUQHRQZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.84
Rot. Bonds3

About 2-(methoxymethyl)-2-(4-methylphenyl)-1,3-dioxolane

2-(methoxymethyl)-2-(4-methylphenyl)-1,3-dioxolane (PubChem CID 23579449) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-(4-methylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(methoxymethyl)-2-(4-methylphenyl)-1,3-dioxolane
PubChem CID23579449
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(methoxymethyl)-2-(4-methylphenyl)-1,3-dioxolane
SMILESCOCC1(c2ccc(C)cc2)OCCO1
InChIInChI=1S/C12H16O3/c1-10-3-5-11(6-4-10)12(9-13-2)14-7-8-15-12/h3-6H,7-9H2,1-2H3
InChIKeyAAXUWCMTUQHRQZ-UHFFFAOYSA-N
XLogP1.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-methylphenyl)-1,3-dioxolan-2-yl]methanol
CID 55253379
2-(4-methylphenyl)-2-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
CID 70620715
2-(3-bromopropyl)-2-(4-methylphenyl)-1,3-dioxolane
CID 20547861
4-[2-(4-methylphenyl)-1,3-dioxolan-2-yl]butan-1-ol
CID 121393023
2,2-bis(4-methylphenyl)oxirane
CID 12692604
ethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene
CID 143729265
2-(4-chlorobutyl)-2-(4-methoxyphenyl)-1,3-dioxolane
CID 20547832
CID 88944983
CID 88944983
[2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine
CID 58428365
[2-(methoxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanamine
CID 103466567
2-(4-methylphenyl)-2-phenyl-1,4-dioxane
CID 142902155
(2R,4S)-2,4-bis(chloromethyl)-2-(4-methylphenyl)-1,3-dioxolane
CID 58526661

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-(4-methylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(methoxymethyl)-2-(4-methylphenyl)-1,3-dioxolane (CID 23579449) is 2-(methoxymethyl)-2-(4-methylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(methoxymethyl)-2-(4-methylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(methoxymethyl)-2-(4-methylphenyl)-1,3-dioxolane is COCC1(c2ccc(C)cc2)OCCO1.
What is the InChIKey of 2-(methoxymethyl)-2-(4-methylphenyl)-1,3-dioxolane?
The InChIKey is AAXUWCMTUQHRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-10-3-5-11(6-4-10)12(9-13-2)14-7-8-15-12/h3-6H,7-9H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-2-(4-methylphenyl)-1,3-dioxolane?
2-(methoxymethyl)-2-(4-methylphenyl)-1,3-dioxolane has a molecular weight of 208.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-(4-methylphenyl)-1,3-dioxolane is sourced from PubChem (CID 23579449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).