chloroform;methanol;propan-2-ol;hydrate

C5H15Cl3O3 — CID 159908806

IUPACchloroform;methanol;propan-2-ol;hydrate
SMILESCC(C)O.CO.ClC(Cl)Cl.O
InChIInChI=1S/C3H8O.CHCl3.CH4O.H2O/c1-3(2)4;2-1(3)4;1-2;/h3-4H,1-2H3;1H;2H,1H3;1H2
InChIKeyNWXMHXRFSLMYLX-UHFFFAOYSA-N
MW229.53 g/mol
LogP1.16
Rot. Bonds

About chloroform;methanol;propan-2-ol;hydrate

chloroform;methanol;propan-2-ol;hydrate (PubChem CID 159908806) has the molecular formula C5H15Cl3O3 and a molecular weight of 229.53 g/mol. Its IUPAC name is chloroform;methanol;propan-2-ol;hydrate.

Molecular Properties

Compound Namechloroform;methanol;propan-2-ol;hydrate
PubChem CID159908806
Molecular FormulaC5H15Cl3O3
Molecular Weight229.53 g/mol
Exact Mass228.01
IUPAC Namechloroform;methanol;propan-2-ol;hydrate
SMILESCC(C)O.CO.ClC(Cl)Cl.O
InChIInChI=1S/C3H8O.CHCl3.CH4O.H2O/c1-3(2)4;2-1(3)4;1-2;/h3-4H,1-2H3;1H;2H,1H3;1H2
InChIKeyNWXMHXRFSLMYLX-UHFFFAOYSA-N
XLogP1.16
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.53
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloroform;methanol;propan-2-ol;hydrate?
The IUPAC name of chloroform;methanol;propan-2-ol;hydrate (CID 159908806) is chloroform;methanol;propan-2-ol;hydrate.
What is the SMILES notation for chloroform;methanol;propan-2-ol;hydrate?
The canonical SMILES for chloroform;methanol;propan-2-ol;hydrate is CC(C)O.CO.ClC(Cl)Cl.O.
What is the InChIKey of chloroform;methanol;propan-2-ol;hydrate?
The InChIKey is NWXMHXRFSLMYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.CHCl3.CH4O.H2O/c1-3(2)4;2-1(3)4;1-2;/h3-4H,1-2H3;1H;2H,1H3;1H2.
What are the key properties of chloroform;methanol;propan-2-ol;hydrate?
chloroform;methanol;propan-2-ol;hydrate has a molecular weight of 229.53 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;methanol;propan-2-ol;hydrate is sourced from PubChem (CID 159908806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).