propan-1-ol;hydrate

C3H10O2 — CID 22595341

IUPACpropan-1-ol;hydrate
SMILESCCCO.O
InChIInChI=1S/C3H8O.H2O/c1-2-3-4;/h4H,2-3H2,1H3;1H2
InChIKeyKIDBBTHHMJOMAU-UHFFFAOYSA-N
MW78.11 g/mol
LogP-0.44
Rot. Bonds1

About propan-1-ol;hydrate

propan-1-ol;hydrate (PubChem CID 22595341) has the molecular formula C3H10O2 and a molecular weight of 78.11 g/mol. Its IUPAC name is propan-1-ol;hydrate.

Molecular Properties

Compound Namepropan-1-ol;hydrate
PubChem CID22595341
Molecular FormulaC3H10O2
Molecular Weight78.11 g/mol
Exact Mass78.07
IUPAC Namepropan-1-ol;hydrate
SMILESCCCO.O
InChIInChI=1S/C3H8O.H2O/c1-2-3-4;/h4H,2-3H2,1H3;1H2
InChIKeyKIDBBTHHMJOMAU-UHFFFAOYSA-N
XLogP-0.44
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.11
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propan-1-ol;hydrate?
The IUPAC name of propan-1-ol;hydrate (CID 22595341) is propan-1-ol;hydrate.
What is the SMILES notation for propan-1-ol;hydrate?
The canonical SMILES for propan-1-ol;hydrate is CCCO.O.
What is the InChIKey of propan-1-ol;hydrate?
The InChIKey is KIDBBTHHMJOMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.H2O/c1-2-3-4;/h4H,2-3H2,1H3;1H2.
What are the key properties of propan-1-ol;hydrate?
propan-1-ol;hydrate has a molecular weight of 78.11 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-ol;hydrate is sourced from PubChem (CID 22595341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).