butan-1-ol

C8H20O2 — CID 20532113

IUPACbutan-1-ol
SMILESCCCCO.CCCCO
InChIInChI=1S/2C4H10O/c2*1-2-3-4-5/h2*5H,2-4H2,1H3
InChIKeyMZNDIOURMFYZLE-UHFFFAOYSA-N
MW148.25 g/mol
LogP1.56
Rot. Bonds4

About butan-1-ol

butan-1-ol (PubChem CID 20532113) has the molecular formula C8H20O2 and a molecular weight of 148.25 g/mol. Its IUPAC name is butan-1-ol.

Molecular Properties

Compound Namebutan-1-ol
PubChem CID20532113
Molecular FormulaC8H20O2
Molecular Weight148.25 g/mol
Exact Mass148.15
IUPAC Namebutan-1-ol
SMILESCCCCO.CCCCO
InChIInChI=1S/2C4H10O/c2*1-2-3-4-5/h2*5H,2-4H2,1H3
InChIKeyMZNDIOURMFYZLE-UHFFFAOYSA-N
XLogP1.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1,2,3,4-13C4)butan-1-ol
CID 71309697
sodium butan-1-ol
CID 19366054
butan-1-ol;nickel
CID 22477011
butane;butan-1-ol
CID 19774960
tris(butan-1-ol);zirconium
CID 25200102
butan-1-ol;cadmium
CID 154199105
butan-1-ol;methanol
CID 23065762
butan-1-ol;plumbane
CID 173408910
tetrakis(butan-1-ol);cerium
CID 87109841
pentakis(butan-1-ol);vanadium
CID 14228635
tris(butan-1-ol);titanium;bromide
CID 20523364
tetrakis(butan-1-ol);propane;titanium
CID 174520119

Frequently Asked Questions

What is the IUPAC name of butan-1-ol?
The IUPAC name of butan-1-ol (CID 20532113) is butan-1-ol.
What is the SMILES notation for butan-1-ol?
The canonical SMILES for butan-1-ol is CCCCO.CCCCO.
What is the InChIKey of butan-1-ol?
The InChIKey is MZNDIOURMFYZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O/c2*1-2-3-4-5/h2*5H,2-4H2,1H3.
What are the key properties of butan-1-ol?
butan-1-ol has a molecular weight of 148.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol is sourced from PubChem (CID 20532113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).