propan-1-ol;propan-2-one

C6H14O2 — CID 18513402

IUPACpropan-1-ol;propan-2-one
SMILESCC(C)=O.CCCO
InChIInChI=1S/C3H6O.C3H8O/c1-3(2)4;1-2-3-4/h1-2H3;4H,2-3H2,1H3
InChIKeyQQOFJYQTBCFNNT-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.98
Rot. Bonds1

About propan-1-ol;propan-2-one

propan-1-ol;propan-2-one (PubChem CID 18513402) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is propan-1-ol;propan-2-one.

Molecular Properties

Compound Namepropan-1-ol;propan-2-one
PubChem CID18513402
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Namepropan-1-ol;propan-2-one
SMILESCC(C)=O.CCCO
InChIInChI=1S/C3H6O.C3H8O/c1-3(2)4;1-2-3-4/h1-2H3;4H,2-3H2,1H3
InChIKeyQQOFJYQTBCFNNT-UHFFFAOYSA-N
XLogP0.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-1-ol;propan-2-one?
The IUPAC name of propan-1-ol;propan-2-one (CID 18513402) is propan-1-ol;propan-2-one.
What is the SMILES notation for propan-1-ol;propan-2-one?
The canonical SMILES for propan-1-ol;propan-2-one is CC(C)=O.CCCO.
What is the InChIKey of propan-1-ol;propan-2-one?
The InChIKey is QQOFJYQTBCFNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C3H8O/c1-3(2)4;1-2-3-4/h1-2H3;4H,2-3H2,1H3.
What are the key properties of propan-1-ol;propan-2-one?
propan-1-ol;propan-2-one has a molecular weight of 118.18 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-ol;propan-2-one is sourced from PubChem (CID 18513402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).