1-(2,2-dimethoxyethyl)-4-methoxybenzene

C11H16O3 — CID 554649

IUPAC1-(2,2-dimethoxyethyl)-4-methoxybenzene
SMILESCOc1ccc(CC(OC)OC)cc1
InChIInChI=1S/C11H16O3/c1-12-10-6-4-9(5-7-10)8-11(13-2)14-3/h4-7,11H,8H2,1-3H3
InChIKeyUKVAXOJOOALGOT-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.86
Rot. Bonds5

About 1-(2,2-dimethoxyethyl)-4-methoxybenzene

1-(2,2-dimethoxyethyl)-4-methoxybenzene (PubChem CID 554649) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-4-methoxybenzene
PubChem CID554649
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-(2,2-dimethoxyethyl)-4-methoxybenzene
SMILESCOc1ccc(CC(OC)OC)cc1
InChIInChI=1S/C11H16O3/c1-12-10-6-4-9(5-7-10)8-11(13-2)14-3/h4-7,11H,8H2,1-3H3
InChIKeyUKVAXOJOOALGOT-UHFFFAOYSA-N
XLogP1.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-4-methoxybenzene?
The IUPAC name of 1-(2,2-dimethoxyethyl)-4-methoxybenzene (CID 554649) is 1-(2,2-dimethoxyethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-4-methoxybenzene?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-4-methoxybenzene is COc1ccc(CC(OC)OC)cc1.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-4-methoxybenzene?
The InChIKey is UKVAXOJOOALGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-12-10-6-4-9(5-7-10)8-11(13-2)14-3/h4-7,11H,8H2,1-3H3.
What are the key properties of 1-(2,2-dimethoxyethyl)-4-methoxybenzene?
1-(2,2-dimethoxyethyl)-4-methoxybenzene has a molecular weight of 196.25 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-4-methoxybenzene is sourced from PubChem (CID 554649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).