1-(dimethoxymethyl)-2-methylbenzene

C10H14O2 — CID 13294514

IUPAC1-(dimethoxymethyl)-2-methylbenzene
SMILESCOC(OC)c1ccccc1C
InChIInChI=1S/C10H14O2/c1-8-6-4-5-7-9(8)10(11-2)12-3/h4-7,10H,1-3H3
InChIKeyDRYPLHYCMMUGTN-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.29
Rot. Bonds3

About 1-(dimethoxymethyl)-2-methylbenzene

1-(dimethoxymethyl)-2-methylbenzene (PubChem CID 13294514) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(dimethoxymethyl)-2-methylbenzene
PubChem CID13294514
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(dimethoxymethyl)-2-methylbenzene
SMILESCOC(OC)c1ccccc1C
InChIInChI=1S/C10H14O2/c1-8-6-4-5-7-9(8)10(11-2)12-3/h4-7,10H,1-3H3
InChIKeyDRYPLHYCMMUGTN-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(dimethoxymethyl)-2-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethyl)-2-methylbenzene?
The IUPAC name of 1-(dimethoxymethyl)-2-methylbenzene (CID 13294514) is 1-(dimethoxymethyl)-2-methylbenzene.
What is the SMILES notation for 1-(dimethoxymethyl)-2-methylbenzene?
The canonical SMILES for 1-(dimethoxymethyl)-2-methylbenzene is COC(OC)c1ccccc1C.
What is the InChIKey of 1-(dimethoxymethyl)-2-methylbenzene?
The InChIKey is DRYPLHYCMMUGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-6-4-5-7-9(8)10(11-2)12-3/h4-7,10H,1-3H3.
What are the key properties of 1-(dimethoxymethyl)-2-methylbenzene?
1-(dimethoxymethyl)-2-methylbenzene has a molecular weight of 166.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethyl)-2-methylbenzene is sourced from PubChem (CID 13294514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).