2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane

C13H18O3 — CID 82127880

IUPAC2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane
SMILESCOc1cc(C)c(C)cc1C1(C)OCCO1
InChIInChI=1S/C13H18O3/c1-9-7-11(12(14-4)8-10(9)2)13(3)15-5-6-16-13/h7-8H,5-6H2,1-4H3
InChIKeyRHERBOBMWMGNBV-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.53
Rot. Bonds2

About 2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane

2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane (PubChem CID 82127880) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane
PubChem CID82127880
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane
SMILESCOc1cc(C)c(C)cc1C1(C)OCCO1
InChIInChI=1S/C13H18O3/c1-9-7-11(12(14-4)8-10(9)2)13(3)15-5-6-16-13/h7-8H,5-6H2,1-4H3
InChIKeyRHERBOBMWMGNBV-UHFFFAOYSA-N
XLogP2.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-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

Related Compounds

2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82128354
2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 83958950
2-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,3-dioxane
CID 82131495
5-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 82049149
3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine
CID 94277490
1'-(2,5-dimethoxy-4-methylphenyl)-5',5'-dimethylspiro[1,3-dioxolane-2,3'-7-oxabicyclo[4.1.0]heptane]
CID 78128638
8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde
CID 71601416
3-(2-methoxy-4,5-dimethylphenyl)-3-(trifluoromethyl)oxetane
CID 116875861
3-chloro-3-(4-methoxy-2,5-dimethylphenyl)oxetane
CID 116876485
3-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]propan-1-amine
CID 116870043
2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane
CID 83959424
5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene]
CID 139038251

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane (CID 82127880) is 2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane is COc1cc(C)c(C)cc1C1(C)OCCO1.
What is the InChIKey of 2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane?
The InChIKey is RHERBOBMWMGNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9-7-11(12(14-4)8-10(9)2)13(3)15-5-6-16-13/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane?
2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane has a molecular weight of 222.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 82127880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).