1-ethoxybutan-2-ol

C6H14O2 — CID 18791709

IUPAC1-ethoxybutan-2-ol
SMILESCCOCC(O)CC
InChIInChI=1S/C6H14O2/c1-3-6(7)5-8-4-2/h6-7H,3-5H2,1-2H3
InChIKeyJQPQGHSESNJJBC-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.79
Rot. Bonds4

About 1-ethoxybutan-2-ol

1-ethoxybutan-2-ol (PubChem CID 18791709) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is 1-ethoxybutan-2-ol.

Molecular Properties

Compound Name1-ethoxybutan-2-ol
PubChem CID18791709
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name1-ethoxybutan-2-ol
SMILESCCOCC(O)CC
InChIInChI=1S/C6H14O2/c1-3-6(7)5-8-4-2/h6-7H,3-5H2,1-2H3
InChIKeyJQPQGHSESNJJBC-UHFFFAOYSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethoxybutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethoxybutan-2-ol?
The IUPAC name of 1-ethoxybutan-2-ol (CID 18791709) is 1-ethoxybutan-2-ol.
What is the SMILES notation for 1-ethoxybutan-2-ol?
The canonical SMILES for 1-ethoxybutan-2-ol is CCOCC(O)CC.
What is the InChIKey of 1-ethoxybutan-2-ol?
The InChIKey is JQPQGHSESNJJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2/c1-3-6(7)5-8-4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-ethoxybutan-2-ol?
1-ethoxybutan-2-ol has a molecular weight of 118.18 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxybutan-2-ol is sourced from PubChem (CID 18791709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).