1-methoxyethanol

C3H8O2 — CID 3015637

IUPAC1-methoxyethanol
SMILESCOC(C)O
InChIInChI=1S/C3H8O2/c1-3(4)5-2/h3-4H,1-2H3
InChIKeyGEGLCBTXYBXOJA-UHFFFAOYSA-N
MW76.09 g/mol
LogP-0.03
Rot. Bonds1

About 1-methoxyethanol

1-methoxyethanol (PubChem CID 3015637) has the molecular formula C3H8O2 and a molecular weight of 76.09 g/mol. Its IUPAC name is 1-methoxyethanol.

Molecular Properties

Compound Name1-methoxyethanol
PubChem CID3015637
Molecular FormulaC3H8O2
Molecular Weight76.09 g/mol
Exact Mass76.05
IUPAC Name1-methoxyethanol
SMILESCOC(C)O
InChIInChI=1S/C3H8O2/c1-3(4)5-2/h3-4H,1-2H3
InChIKeyGEGLCBTXYBXOJA-UHFFFAOYSA-N
XLogP-0.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.09
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methoxyethanol?
The IUPAC name of 1-methoxyethanol (CID 3015637) is 1-methoxyethanol.
What is the SMILES notation for 1-methoxyethanol?
The canonical SMILES for 1-methoxyethanol is COC(C)O.
What is the InChIKey of 1-methoxyethanol?
The InChIKey is GEGLCBTXYBXOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2/c1-3(4)5-2/h3-4H,1-2H3.
What are the key properties of 1-methoxyethanol?
1-methoxyethanol has a molecular weight of 76.09 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethanol is sourced from PubChem (CID 3015637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).