1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene

C13H20O3 — CID 14121776

IUPAC1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene
SMILESCOC(OC)c1ccc(C(C)(C)OC)cc1
InChIInChI=1S/C13H20O3/c1-13(2,16-5)11-8-6-10(7-9-11)12(14-3)15-4/h6-9,12H,1-5H3
InChIKeyVZXZEPUYHYKFJX-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.86
Rot. Bonds5

About 1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene

1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene (PubChem CID 14121776) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene
PubChem CID14121776
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene
SMILESCOC(OC)c1ccc(C(C)(C)OC)cc1
InChIInChI=1S/C13H20O3/c1-13(2,16-5)11-8-6-10(7-9-11)12(14-3)15-4/h6-9,12H,1-5H3
InChIKeyVZXZEPUYHYKFJX-UHFFFAOYSA-N
XLogP2.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene 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

Benzaldehyde dimethyl acetal
CID 62375
2-Phenylpropionaldehyde dimethyl acetal
CID 62336
(Diethoxymethyl)benzene
CID 69884
p-Isopropylbenzyl acetate
CID 100990
1,4-Bis(Methoxymethyl)Benzene
CID 81239
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
2-Methyl-2-phenyloxirane
CID 16398
4-Methyl-4-phenyl-1,3-dioxane
CID 92875
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-
CID 107381
4-Methylbenzaldehyde propyleneglycol acetal
CID 94001
Trimethyl orthobeznoate
CID 69720

Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene?
The IUPAC name of 1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene (CID 14121776) is 1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene.
What is the SMILES notation for 1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene?
The canonical SMILES for 1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene is COC(OC)c1ccc(C(C)(C)OC)cc1.
What is the InChIKey of 1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene?
The InChIKey is VZXZEPUYHYKFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-13(2,16-5)11-8-6-10(7-9-11)12(14-3)15-4/h6-9,12H,1-5H3.
What are the key properties of 1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene?
1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene has a molecular weight of 224.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethyl)-4-(2-methoxypropan-2-yl)benzene is sourced from PubChem (CID 14121776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).