propan-2-ol

C6H16O2 — CID 22111459

IUPACpropan-2-ol
SMILESCC(C)O.CC(C)O
InChIInChI=1S/2C3H8O/c2*1-3(2)4/h2*3-4H,1-2H3
InChIKeySYJRVVFAAIUVDH-UHFFFAOYSA-N
MW120.19 g/mol
LogP0.77
Rot. Bonds

About propan-2-ol

propan-2-ol (PubChem CID 22111459) has the molecular formula C6H16O2 and a molecular weight of 120.19 g/mol. Its IUPAC name is propan-2-ol.

Molecular Properties

Compound Namepropan-2-ol
PubChem CID22111459
Molecular FormulaC6H16O2
Molecular Weight120.19 g/mol
Exact Mass120.12
IUPAC Namepropan-2-ol
SMILESCC(C)O.CC(C)O
InChIInChI=1S/2C3H8O/c2*1-3(2)4/h2*3-4H,1-2H3
InChIKeySYJRVVFAAIUVDH-UHFFFAOYSA-N
XLogP0.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-ol?
The IUPAC name of propan-2-ol (CID 22111459) is propan-2-ol.
What is the SMILES notation for propan-2-ol?
The canonical SMILES for propan-2-ol is CC(C)O.CC(C)O.
What is the InChIKey of propan-2-ol?
The InChIKey is SYJRVVFAAIUVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8O/c2*1-3(2)4/h2*3-4H,1-2H3.
What are the key properties of propan-2-ol?
propan-2-ol has a molecular weight of 120.19 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ol is sourced from PubChem (CID 22111459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).