1,2-dimethoxyethylbenzene

C10H14O2 — CID 578105

IUPAC1,2-dimethoxyethylbenzene
SMILESCOCC(OC)c1ccccc1
InChIInChI=1S/C10H14O2/c1-11-8-10(12-2)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeyMCZSDTLZJNZORX-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.02
Rot. Bonds4

About 1,2-dimethoxyethylbenzene

1,2-dimethoxyethylbenzene (PubChem CID 578105) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1,2-dimethoxyethylbenzene.

Molecular Properties

Compound Name1,2-dimethoxyethylbenzene
PubChem CID578105
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1,2-dimethoxyethylbenzene
SMILESCOCC(OC)c1ccccc1
InChIInChI=1S/C10H14O2/c1-11-8-10(12-2)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeyMCZSDTLZJNZORX-UHFFFAOYSA-N
XLogP2.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethylbenzene?
The IUPAC name of 1,2-dimethoxyethylbenzene (CID 578105) is 1,2-dimethoxyethylbenzene.
What is the SMILES notation for 1,2-dimethoxyethylbenzene?
The canonical SMILES for 1,2-dimethoxyethylbenzene is COCC(OC)c1ccccc1.
What is the InChIKey of 1,2-dimethoxyethylbenzene?
The InChIKey is MCZSDTLZJNZORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-11-8-10(12-2)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3.
What are the key properties of 1,2-dimethoxyethylbenzene?
1,2-dimethoxyethylbenzene has a molecular weight of 166.22 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethylbenzene is sourced from PubChem (CID 578105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).