2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane

C12H16O4 — CID 24727770

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane
SMILESCOc1ccc(CC2OCCO2)cc1OC
InChIInChI=1S/C12H16O4/c1-13-10-4-3-9(7-11(10)14-2)8-12-15-5-6-16-12/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyOTMVVWDRCLJXKA-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.62
Rot. Bonds4

About 2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane

2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane (PubChem CID 24727770) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane
PubChem CID24727770
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane
SMILESCOc1ccc(CC2OCCO2)cc1OC
InChIInChI=1S/C12H16O4/c1-13-10-4-3-9(7-11(10)14-2)8-12-15-5-6-16-12/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyOTMVVWDRCLJXKA-UHFFFAOYSA-N
XLogP1.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran
CID 135056530
2-(3,4-dimethoxyphenyl)-1-(1,4-dioxan-2-yl)ethanone
CID 62805451
2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride
CID 90679135
2-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methyl]-4-methyloxolan-3-yl]ethanol
CID 162970807
4-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine
CID 23009517
[(R)-(3,5-dichloro-4-pyridinyl)oxy-(3,4-dimethoxyphenyl)methyl] 4-(1,3-dioxolan-2-ylmethyl)benzoate
CID 122683145
5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 10334619
4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene
CID 118987420
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000
(3S)-3-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 139085157
3-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-ol
CID 14137606

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane (CID 24727770) is 2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane is COc1ccc(CC2OCCO2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane?
The InChIKey is OTMVVWDRCLJXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-13-10-4-3-9(7-11(10)14-2)8-12-15-5-6-16-12/h3-4,7,12H,5-6,8H2,1-2H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane?
2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane has a molecular weight of 224.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane is sourced from PubChem (CID 24727770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).