propan-2-ol

C3H8O — CID 3776

💊View drug profile → isopropanol
IUPACpropan-2-ol
SMILESCC(C)O
InChIInChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChIKeyKFZMGEQAYNKOFK-UHFFFAOYSA-N
MW60.10 g/mol
LogP0.39
Rot. Bonds

About propan-2-ol

propan-2-ol (PubChem CID 3776) has the molecular formula C3H8O and a molecular weight of 60.10 g/mol. Its IUPAC name is propan-2-ol.

Molecular Properties

Compound Namepropan-2-ol
PubChem CID3776
Molecular FormulaC3H8O
Molecular Weight60.10 g/mol
Exact Mass60.06
IUPAC Namepropan-2-ol
SMILESCC(C)O
InChIInChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChIKeyKFZMGEQAYNKOFK-UHFFFAOYSA-N
XLogP0.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50060.10
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(+-)-2-Butanol
CID 6568
3-Pentanol
CID 11428
(-)-2-Butanol
CID 84682
(+)-2-Butanol
CID 444683
1-Fluoropropan-2-ol
CID 101671
2-Propanol, reaction products with ammonia, distn. residues
CID 18331942
2-Propan-2-d-ol
CID 12213344
2-Propanol-1,1,1,3,3,3-d6
CID 12213346
Propan-2-[2H]ol
CID 520960
(O,1,1,1,2,3,3,3-2H8)propan-2-ol
CID 2723972
2-Propanol-1,1,1-d3
CID 12213345
(2S)-1-fluoropropan-2-ol
CID 13278460

Frequently Asked Questions

What is the IUPAC name of propan-2-ol?
The IUPAC name of propan-2-ol (CID 3776) is propan-2-ol.
What is the SMILES notation for propan-2-ol?
The canonical SMILES for propan-2-ol is CC(C)O.
What is the InChIKey of propan-2-ol?
The InChIKey is KFZMGEQAYNKOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3.
What are the key properties of propan-2-ol?
propan-2-ol has a molecular weight of 60.10 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ol is sourced from PubChem (CID 3776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).