ethanol

C4H12O2 — CID 57419690

IUPACethanol
SMILESCCO.CCO
InChIInChI=1S/2C2H6O/c2*1-2-3/h2*3H,2H2,1H3
InChIKeyOCLXJTCGWSSVOE-UHFFFAOYSA-N
MW92.14 g/mol
LogP-0.00
Rot. Bonds

About ethanol

ethanol (PubChem CID 57419690) has the molecular formula C4H12O2 and a molecular weight of 92.14 g/mol. Its IUPAC name is ethanol.

Molecular Properties

Compound Nameethanol
PubChem CID57419690
Molecular FormulaC4H12O2
Molecular Weight92.14 g/mol
Exact Mass92.08
IUPAC Nameethanol
SMILESCCO.CCO
InChIInChI=1S/2C2H6O/c2*1-2-3/h2*3H,2H2,1H3
InChIKeyOCLXJTCGWSSVOE-UHFFFAOYSA-N
XLogP-0.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ethanol 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 ethanol?
The IUPAC name of ethanol (CID 57419690) is ethanol.
What is the SMILES notation for ethanol?
The canonical SMILES for ethanol is CCO.CCO.
What is the InChIKey of ethanol?
The InChIKey is OCLXJTCGWSSVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6O/c2*1-2-3/h2*3H,2H2,1H3.
What are the key properties of ethanol?
ethanol has a molecular weight of 92.14 g/mol, XLogP of -0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol is sourced from PubChem (CID 57419690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).