1-(dimethoxymethyl)-2-methoxybenzene

C10H14O3 — CID 3018187

IUPAC1-(dimethoxymethyl)-2-methoxybenzene
SMILESCOc1ccccc1C(OC)OC
InChIInChI=1S/C10H14O3/c1-11-9-7-5-4-6-8(9)10(12-2)13-3/h4-7,10H,1-3H3
InChIKeyOQLVAPNQEWZTIW-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.99
Rot. Bonds4

About 1-(dimethoxymethyl)-2-methoxybenzene

1-(dimethoxymethyl)-2-methoxybenzene (PubChem CID 3018187) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(dimethoxymethyl)-2-methoxybenzene
PubChem CID3018187
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-(dimethoxymethyl)-2-methoxybenzene
SMILESCOc1ccccc1C(OC)OC
InChIInChI=1S/C10H14O3/c1-11-9-7-5-4-6-8(9)10(12-2)13-3/h4-7,10H,1-3H3
InChIKeyOQLVAPNQEWZTIW-UHFFFAOYSA-N
XLogP1.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxybenzene?
The IUPAC name of 1-(dimethoxymethyl)-2-methoxybenzene (CID 3018187) is 1-(dimethoxymethyl)-2-methoxybenzene.
What is the SMILES notation for 1-(dimethoxymethyl)-2-methoxybenzene?
The canonical SMILES for 1-(dimethoxymethyl)-2-methoxybenzene is COc1ccccc1C(OC)OC.
What is the InChIKey of 1-(dimethoxymethyl)-2-methoxybenzene?
The InChIKey is OQLVAPNQEWZTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-11-9-7-5-4-6-8(9)10(12-2)13-3/h4-7,10H,1-3H3.
What are the key properties of 1-(dimethoxymethyl)-2-methoxybenzene?
1-(dimethoxymethyl)-2-methoxybenzene has a molecular weight of 182.22 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethyl)-2-methoxybenzene is sourced from PubChem (CID 3018187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).