butan-1-ol;methanol;propan-2-ol

C8H22O3 — CID 23284119

IUPACbutan-1-ol;methanol;propan-2-ol
SMILESCC(C)O.CCCCO.CO
InChIInChI=1S/C4H10O.C3H8O.CH4O/c1-2-3-4-5;1-3(2)4;1-2/h5H,2-4H2,1H3;3-4H,1-2H3;2H,1H3
InChIKeyNJWRYPKZMDXZNR-UHFFFAOYSA-N
MW166.26 g/mol
LogP0.77
Rot. Bonds2

About butan-1-ol;methanol;propan-2-ol

butan-1-ol;methanol;propan-2-ol (PubChem CID 23284119) has the molecular formula C8H22O3 and a molecular weight of 166.26 g/mol. Its IUPAC name is butan-1-ol;methanol;propan-2-ol.

Molecular Properties

Compound Namebutan-1-ol;methanol;propan-2-ol
PubChem CID23284119
Molecular FormulaC8H22O3
Molecular Weight166.26 g/mol
Exact Mass166.16
IUPAC Namebutan-1-ol;methanol;propan-2-ol
SMILESCC(C)O.CCCCO.CO
InChIInChI=1S/C4H10O.C3H8O.CH4O/c1-2-3-4-5;1-3(2)4;1-2/h5H,2-4H2,1H3;3-4H,1-2H3;2H,1H3
InChIKeyNJWRYPKZMDXZNR-UHFFFAOYSA-N
XLogP0.77
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;methanol;propan-2-ol?
The IUPAC name of butan-1-ol;methanol;propan-2-ol (CID 23284119) is butan-1-ol;methanol;propan-2-ol.
What is the SMILES notation for butan-1-ol;methanol;propan-2-ol?
The canonical SMILES for butan-1-ol;methanol;propan-2-ol is CC(C)O.CCCCO.CO.
What is the InChIKey of butan-1-ol;methanol;propan-2-ol?
The InChIKey is NJWRYPKZMDXZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H8O.CH4O/c1-2-3-4-5;1-3(2)4;1-2/h5H,2-4H2,1H3;3-4H,1-2H3;2H,1H3.
What are the key properties of butan-1-ol;methanol;propan-2-ol?
butan-1-ol;methanol;propan-2-ol has a molecular weight of 166.26 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;methanol;propan-2-ol is sourced from PubChem (CID 23284119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).