ethanol;propan-2-one

C7H18O3 — CID 57421514

IUPACethanol;propan-2-one
SMILESCC(C)=O.CCO.CCO
InChIInChI=1S/C3H6O.2C2H6O/c1-3(2)4;2*1-2-3/h1-2H3;2*3H,2H2,1H3
InChIKeyKJPCVKMPOJVFRW-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.59
Rot. Bonds

About ethanol;propan-2-one

ethanol;propan-2-one (PubChem CID 57421514) has the molecular formula C7H18O3 and a molecular weight of 150.22 g/mol. Its IUPAC name is ethanol;propan-2-one.

Molecular Properties

Compound Nameethanol;propan-2-one
PubChem CID57421514
Molecular FormulaC7H18O3
Molecular Weight150.22 g/mol
Exact Mass150.13
IUPAC Nameethanol;propan-2-one
SMILESCC(C)=O.CCO.CCO
InChIInChI=1S/C3H6O.2C2H6O/c1-3(2)4;2*1-2-3/h1-2H3;2*3H,2H2,1H3
InChIKeyKJPCVKMPOJVFRW-UHFFFAOYSA-N
XLogP0.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;propan-2-one?
The IUPAC name of ethanol;propan-2-one (CID 57421514) is ethanol;propan-2-one.
What is the SMILES notation for ethanol;propan-2-one?
The canonical SMILES for ethanol;propan-2-one is CC(C)=O.CCO.CCO.
What is the InChIKey of ethanol;propan-2-one?
The InChIKey is KJPCVKMPOJVFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.2C2H6O/c1-3(2)4;2*1-2-3/h1-2H3;2*3H,2H2,1H3.
What are the key properties of ethanol;propan-2-one?
ethanol;propan-2-one has a molecular weight of 150.22 g/mol, XLogP of 0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;propan-2-one is sourced from PubChem (CID 57421514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).