butan-1-ol

C4H10O — CID 263

IUPACbutan-1-ol
SMILESCCCCO
InChIInChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChIKeyLRHPLDYGYMQRHN-UHFFFAOYSA-N
MW74.12 g/mol
LogP0.78
Rot. Bonds2

About butan-1-ol

butan-1-ol (PubChem CID 263) has the molecular formula C4H10O and a molecular weight of 74.12 g/mol. Its IUPAC name is butan-1-ol.

Molecular Properties

Compound Namebutan-1-ol
PubChem CID263
Molecular FormulaC4H10O
Molecular Weight74.12 g/mol
Exact Mass74.07
IUPAC Namebutan-1-ol
SMILESCCCCO
InChIInChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChIKeyLRHPLDYGYMQRHN-UHFFFAOYSA-N
XLogP0.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.12
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol?
The IUPAC name of butan-1-ol (CID 263) is butan-1-ol.
What is the SMILES notation for butan-1-ol?
The canonical SMILES for butan-1-ol is CCCCO.
What is the InChIKey of butan-1-ol?
The InChIKey is LRHPLDYGYMQRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3.
What are the key properties of butan-1-ol?
butan-1-ol has a molecular weight of 74.12 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol is sourced from PubChem (CID 263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).