butan-2-ol

C4H10O — CID 6568

IUPACbutan-2-ol
SMILESCCC(C)O
InChIInChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChIKeyBTANRVKWQNVYAZ-UHFFFAOYSA-N
MW74.12 g/mol
LogP0.78
Rot. Bonds1

About butan-2-ol

butan-2-ol (PubChem CID 6568) has the molecular formula C4H10O and a molecular weight of 74.12 g/mol. Its IUPAC name is butan-2-ol.

Molecular Properties

Compound Namebutan-2-ol
PubChem CID6568
Molecular FormulaC4H10O
Molecular Weight74.12 g/mol
Exact Mass74.07
IUPAC Namebutan-2-ol
SMILESCCC(C)O
InChIInChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChIKeyBTANRVKWQNVYAZ-UHFFFAOYSA-N
XLogP0.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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-2-ol?
The IUPAC name of butan-2-ol (CID 6568) is butan-2-ol.
What is the SMILES notation for butan-2-ol?
The canonical SMILES for butan-2-ol is CCC(C)O.
What is the InChIKey of butan-2-ol?
The InChIKey is BTANRVKWQNVYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3.
What are the key properties of butan-2-ol?
butan-2-ol has a molecular weight of 74.12 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol is sourced from PubChem (CID 6568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).