dichloromethane;ethoxyethane;methanol;hydrochloride

C6H17Cl3O2 — CID 131723053

IUPACdichloromethane;ethoxyethane;methanol;hydrochloride
SMILESCCOCC.CO.Cl.ClCCl
InChIInChI=1S/C4H10O.CH2Cl2.CH4O.ClH/c1-3-5-4-2;2-1-3;1-2;/h3-4H2,1-2H3;1H2;2H,1H3;1H
InChIKeyXWMDCCPSRPMDHV-UHFFFAOYSA-N
MW227.56 g/mol
LogP2.49
Rot. Bonds2

About dichloromethane;ethoxyethane;methanol;hydrochloride

dichloromethane;ethoxyethane;methanol;hydrochloride (PubChem CID 131723053) has the molecular formula C6H17Cl3O2 and a molecular weight of 227.56 g/mol. Its IUPAC name is dichloromethane;ethoxyethane;methanol;hydrochloride.

Molecular Properties

Compound Namedichloromethane;ethoxyethane;methanol;hydrochloride
PubChem CID131723053
Molecular FormulaC6H17Cl3O2
Molecular Weight227.56 g/mol
Exact Mass226.03
IUPAC Namedichloromethane;ethoxyethane;methanol;hydrochloride
SMILESCCOCC.CO.Cl.ClCCl
InChIInChI=1S/C4H10O.CH2Cl2.CH4O.ClH/c1-3-5-4-2;2-1-3;1-2;/h3-4H2,1-2H3;1H2;2H,1H3;1H
InChIKeyXWMDCCPSRPMDHV-UHFFFAOYSA-N
XLogP2.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.56
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dichloromethane;ethoxyethane;methanol;hydrochloride 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

ethoxyethane;molybdenum;tetrahydrochloride
CID 174873486
ethoxyethane;titanium;trihydrochloride
CID 173160344
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
acetonitrile;dichloromethane;ethoxyethane
CID 172838779
azanium;chloroform;ethoxyethane;methanol;hydroxide
CID 19437863
ethoxyethane;hydroxylamine
CID 135816400
ethoxyethane;fluoroboronic acid
CID 173008541
ethoxyethane;fluoroboronic acid
CID 173104049
ethoxyethane;sulfane
CID 90240371
ethoxyethane;sulfane
CID 87243372
disodium;ethoxyethane
CID 23107014

Frequently Asked Questions

What is the IUPAC name of dichloromethane;ethoxyethane;methanol;hydrochloride?
The IUPAC name of dichloromethane;ethoxyethane;methanol;hydrochloride (CID 131723053) is dichloromethane;ethoxyethane;methanol;hydrochloride.
What is the SMILES notation for dichloromethane;ethoxyethane;methanol;hydrochloride?
The canonical SMILES for dichloromethane;ethoxyethane;methanol;hydrochloride is CCOCC.CO.Cl.ClCCl.
What is the InChIKey of dichloromethane;ethoxyethane;methanol;hydrochloride?
The InChIKey is XWMDCCPSRPMDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.CH2Cl2.CH4O.ClH/c1-3-5-4-2;2-1-3;1-2;/h3-4H2,1-2H3;1H2;2H,1H3;1H.
What are the key properties of dichloromethane;ethoxyethane;methanol;hydrochloride?
dichloromethane;ethoxyethane;methanol;hydrochloride has a molecular weight of 227.56 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;ethoxyethane;methanol;hydrochloride is sourced from PubChem (CID 131723053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).