ethanol;propan-2-ol;propan-2-one

C8H20O3 — CID 22762431

IUPACethanol;propan-2-ol;propan-2-one
SMILESCC(C)=O.CC(C)O.CCO
InChIInChI=1S/C3H8O.C3H6O.C2H6O/c2*1-3(2)4;1-2-3/h3-4H,1-2H3;1-2H3;3H,2H2,1H3
InChIKeyCPMSUBSGRUZZJV-UHFFFAOYSA-N
MW164.25 g/mol
LogP0.98
Rot. Bonds

About ethanol;propan-2-ol;propan-2-one

ethanol;propan-2-ol;propan-2-one (PubChem CID 22762431) has the molecular formula C8H20O3 and a molecular weight of 164.25 g/mol. Its IUPAC name is ethanol;propan-2-ol;propan-2-one.

Molecular Properties

Compound Nameethanol;propan-2-ol;propan-2-one
PubChem CID22762431
Molecular FormulaC8H20O3
Molecular Weight164.25 g/mol
Exact Mass164.14
IUPAC Nameethanol;propan-2-ol;propan-2-one
SMILESCC(C)=O.CC(C)O.CCO
InChIInChI=1S/C3H8O.C3H6O.C2H6O/c2*1-3(2)4;1-2-3/h3-4H,1-2H3;1-2H3;3H,2H2,1H3
InChIKeyCPMSUBSGRUZZJV-UHFFFAOYSA-N
XLogP0.98
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;propan-2-ol;propan-2-one?
The IUPAC name of ethanol;propan-2-ol;propan-2-one (CID 22762431) is ethanol;propan-2-ol;propan-2-one.
What is the SMILES notation for ethanol;propan-2-ol;propan-2-one?
The canonical SMILES for ethanol;propan-2-ol;propan-2-one is CC(C)=O.CC(C)O.CCO.
What is the InChIKey of ethanol;propan-2-ol;propan-2-one?
The InChIKey is CPMSUBSGRUZZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.C3H6O.C2H6O/c2*1-3(2)4;1-2-3/h3-4H,1-2H3;1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;propan-2-ol;propan-2-one?
ethanol;propan-2-ol;propan-2-one has a molecular weight of 164.25 g/mol, XLogP of 0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;propan-2-ol;propan-2-one is sourced from PubChem (CID 22762431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).