Ethanol

C₂H₆O — CID 702

About Ethanol

Ethanol (PubChem CID 702) has the molecular formula C₂H₆O and a molecular weight of 46.07 g/mol. Its IUPAC name is ethanol.

Molecular Properties

• Compound Name: Ethanol
• PubChem CID: 702
• Molecular Formula: C₂H₆O
• Molecular Weight: 46.07 g/mol
• Exact Mass: 46.04
• IUPAC Name: ethanol
• SMILES: CCO
• InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
• InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
• XLogP: -0.00
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Heavy Atoms: 3
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	46.07
LogP ≤ 5	-0.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Ethanol?

The IUPAC name of Ethanol (CID 702) is ethanol.

What is the SMILES notation for Ethanol?

The canonical SMILES for Ethanol is CCO.

What is the InChIKey of Ethanol?

The InChIKey is LFQSCWFLJHTTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3.

What are the key properties of Ethanol?

Ethanol has a molecular weight of 46.07 g/mol, XLogP of -0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Ethanol is sourced from PubChem (CID 702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 702 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1076 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.