ethanol

C2H6O — CID 702

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IUPACethanol
SMILESCCO
InChIInChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChIKeyLFQSCWFLJHTTHZ-UHFFFAOYSA-N
MW46.07 g/mol
LogP-0.00
Rot. Bonds

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 Nameethanol
PubChem CID702
Molecular FormulaC2H6O
Molecular Weight46.07 g/mol
Exact Mass46.04
IUPAC Nameethanol
SMILESCCO
InChIInChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChIKeyLFQSCWFLJHTTHZ-UHFFFAOYSA-N
XLogP-0.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50046.07
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Ethyl alcohol-d6
CID 102138
Ethyl [2]alcohol
CID 123093
Ethanol, thallium(1+) salt (1:1)
CID 16211297
Ethan-1,1-d2-ol
CID 137238
Ethanol-1-13C
CID 12201684
Ethanol-d5
CID 12201693
Ethanol, mixt. with methanol
CID 18681192
Water ethanol
CID 19096565
Ethanol, sodium salt (1:1)
CID 86742833
Ethanol-1-14C
CID 154994
Ethanol-2,2,2-d3
CID 519451
Ethanol-13C2
CID 12201694

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).