chloroform;ethanol;methanol;propan-2-ol

C7H19Cl3O3 — CID 172777273

IUPACchloroform;ethanol;methanol;propan-2-ol
SMILESCC(C)O.CCO.CO.ClC(Cl)Cl
InChIInChI=1S/C3H8O.C2H6O.CHCl3.CH4O/c1-3(2)4;1-2-3;2-1(3)4;1-2/h3-4H,1-2H3;3H,2H2,1H3;1H;2H,1H3
InChIKeyNTSJGHWEXKQPIV-UHFFFAOYSA-N
MW257.58 g/mol
LogP1.98
Rot. Bonds

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

chloroform;ethanol;methanol;propan-2-ol (PubChem CID 172777273) has the molecular formula C7H19Cl3O3 and a molecular weight of 257.58 g/mol. Its IUPAC name is chloroform;ethanol;methanol;propan-2-ol.

Molecular Properties

Compound Namechloroform;ethanol;methanol;propan-2-ol
PubChem CID172777273
Molecular FormulaC7H19Cl3O3
Molecular Weight257.58 g/mol
Exact Mass256.04
IUPAC Namechloroform;ethanol;methanol;propan-2-ol
SMILESCC(C)O.CCO.CO.ClC(Cl)Cl
InChIInChI=1S/C3H8O.C2H6O.CHCl3.CH4O/c1-3(2)4;1-2-3;2-1(3)4;1-2/h3-4H,1-2H3;3H,2H2,1H3;1H;2H,1H3
InChIKeyNTSJGHWEXKQPIV-UHFFFAOYSA-N
XLogP1.98
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.58
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze chloroform;ethanol;methanol;propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

chloroform;ethanol;methanol;hydrate
CID 18003253
chloroform;ethanol
CID 173257897
chloroform;methanol;propan-2-ol;hydrate
CID 159908806
chloroform;propan-2-ol
CID 173195035
ethane-1,2-diol;ethanol;propan-2-ol
CID 172702663
ethanol;methanol;propan-2-ol;propan-2-one
CID 159107328
ethanol;methanol;2-methylpropan-2-ol;propan-2-ol
CID 157184290
chloroform;propane-1,2-diol
CID 159626759
chloroform;ethanol;tetrachloromethane;hydrate
CID 174619658
chloroform;methanol
CID 173018799
ethanol;methanol
CID 157119827
methanol;pentakis(propan-2-ol)
CID 19010899

Frequently Asked Questions

What is the IUPAC name of chloroform;ethanol;methanol;propan-2-ol?
The IUPAC name of chloroform;ethanol;methanol;propan-2-ol (CID 172777273) is chloroform;ethanol;methanol;propan-2-ol.
What is the SMILES notation for chloroform;ethanol;methanol;propan-2-ol?
The canonical SMILES for chloroform;ethanol;methanol;propan-2-ol is CC(C)O.CCO.CO.ClC(Cl)Cl.
What is the InChIKey of chloroform;ethanol;methanol;propan-2-ol?
The InChIKey is NTSJGHWEXKQPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.C2H6O.CHCl3.CH4O/c1-3(2)4;1-2-3;2-1(3)4;1-2/h3-4H,1-2H3;3H,2H2,1H3;1H;2H,1H3.
What are the key properties of chloroform;ethanol;methanol;propan-2-ol?
chloroform;ethanol;methanol;propan-2-ol has a molecular weight of 257.58 g/mol, XLogP of 1.98, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;ethanol;methanol;propan-2-ol is sourced from PubChem (CID 172777273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).