propan-1-ol

C3H8O — CID 1031

💊View drug profile → propanol
IUPACpropan-1-ol
SMILESCCCO
InChIInChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
InChIKeyBDERNNFJNOPAEC-UHFFFAOYSA-N
MW60.10 g/mol
LogP0.39
Rot. Bonds1

About propan-1-ol

propan-1-ol (PubChem CID 1031) has the molecular formula C3H8O and a molecular weight of 60.10 g/mol. Its IUPAC name is propan-1-ol.

Molecular Properties

Compound Namepropan-1-ol
PubChem CID1031
Molecular FormulaC3H8O
Molecular Weight60.10 g/mol
Exact Mass60.06
IUPAC Namepropan-1-ol
SMILESCCCO
InChIInChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
InChIKeyBDERNNFJNOPAEC-UHFFFAOYSA-N
XLogP0.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

1-Butanol
CID 263
Isobutanol
CID 6560
(+-)-2-Butanol
CID 6568
Neopentyl alcohol
CID 6404
(-)-2-Butanol
CID 84682
(+)-2-Butanol
CID 444683
1-Butanol-d10
CID 2733134
1-Butanol, potassium salt (1:1)
CID 180502
butan-1-(2H)ol
CID 20836
1-Propanol-1,1-d2
CID 12201038
Monodeuteropropyl alcohol
CID 12201043
(~2~H_9_)Butan-1-ol
CID 54048623

Frequently Asked Questions

What is the IUPAC name of propan-1-ol?
The IUPAC name of propan-1-ol (CID 1031) is propan-1-ol.
What is the SMILES notation for propan-1-ol?
The canonical SMILES for propan-1-ol is CCCO.
What is the InChIKey of propan-1-ol?
The InChIKey is BDERNNFJNOPAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3.
What are the key properties of propan-1-ol?
propan-1-ol has a molecular weight of 60.10 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-ol is sourced from PubChem (CID 1031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).