1-(dimethoxymethyl)-2,4-dimethoxybenzene

C11H16O4 — CID 14287325

IUPAC1-(dimethoxymethyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(C(OC)OC)c(OC)c1
InChIInChI=1S/C11H16O4/c1-12-8-5-6-9(10(7-8)13-2)11(14-3)15-4/h5-7,11H,1-4H3
InChIKeyBTTYYCFULLUOIV-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.00
Rot. Bonds5

About 1-(dimethoxymethyl)-2,4-dimethoxybenzene

1-(dimethoxymethyl)-2,4-dimethoxybenzene (PubChem CID 14287325) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-(dimethoxymethyl)-2,4-dimethoxybenzene
PubChem CID14287325
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-(dimethoxymethyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(C(OC)OC)c(OC)c1
InChIInChI=1S/C11H16O4/c1-12-8-5-6-9(10(7-8)13-2)11(14-3)15-4/h5-7,11H,1-4H3
InChIKeyBTTYYCFULLUOIV-UHFFFAOYSA-N
XLogP2.00
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethyl)-2,4-dimethoxybenzene?
The IUPAC name of 1-(dimethoxymethyl)-2,4-dimethoxybenzene (CID 14287325) is 1-(dimethoxymethyl)-2,4-dimethoxybenzene.
What is the SMILES notation for 1-(dimethoxymethyl)-2,4-dimethoxybenzene?
The canonical SMILES for 1-(dimethoxymethyl)-2,4-dimethoxybenzene is COc1ccc(C(OC)OC)c(OC)c1.
What is the InChIKey of 1-(dimethoxymethyl)-2,4-dimethoxybenzene?
The InChIKey is BTTYYCFULLUOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-12-8-5-6-9(10(7-8)13-2)11(14-3)15-4/h5-7,11H,1-4H3.
What are the key properties of 1-(dimethoxymethyl)-2,4-dimethoxybenzene?
1-(dimethoxymethyl)-2,4-dimethoxybenzene has a molecular weight of 212.24 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethyl)-2,4-dimethoxybenzene is sourced from PubChem (CID 14287325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).