chloroform;methanol

C41H44Cl120O — CID 173309675

IUPACchloroform;methanol
SMILESCO.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
InChIInChI=1S/40CHCl3.CH4O/c40*2-1(3)4;1-2/h40*1H;2H,1H3
InChIKeyQRJLQTGECHAPFC-UHFFFAOYSA-N
MW4807.16 g/mol
LogP79.06
Rot. Bonds

About chloroform;methanol

chloroform;methanol (PubChem CID 173309675) has the molecular formula C41H44Cl120O and a molecular weight of 4807.16 g/mol. Its IUPAC name is chloroform;methanol.

Molecular Properties

Compound Namechloroform;methanol
PubChem CID173309675
Molecular FormulaC41H44Cl120O
Molecular Weight4807.16 g/mol
Exact Mass4748.60
IUPAC Namechloroform;methanol
SMILESCO.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
InChIInChI=1S/40CHCl3.CH4O/c40*2-1(3)4;1-2/h40*1H;2H,1H3
InChIKeyQRJLQTGECHAPFC-UHFFFAOYSA-N
XLogP79.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004807.16
LogP ≤ 579.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chloroform;methanol
CID 173018799
chloroform;methanol;octahydrate
CID 173365306
chloroform;methanol;propan-2-ol;hydrate
CID 159908806
acetonitrile;chloroform;methanol;hydrate
CID 174543299
chloroform;ethanol;methanol;hydrate
CID 18003253
chloroform;propan-2-ol
CID 173195035
trichloro(113C)methane
CID 10176135
chloroform;ethanol
CID 173257897
chloroform;ethanol;methanol;propan-2-ol
CID 172777273
icosakis(2,2-dichloroethanol);methanol
CID 173499766
chloroform chloride
CID 18671957
CID 158888570
CID 158888570

Frequently Asked Questions

What is the IUPAC name of chloroform;methanol?
The IUPAC name of chloroform;methanol (CID 173309675) is chloroform;methanol.
What is the SMILES notation for chloroform;methanol?
The canonical SMILES for chloroform;methanol is CO.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.
What is the InChIKey of chloroform;methanol?
The InChIKey is QRJLQTGECHAPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/40CHCl3.CH4O/c40*2-1(3)4;1-2/h40*1H;2H,1H3.
What are the key properties of chloroform;methanol?
chloroform;methanol has a molecular weight of 4807.16 g/mol, XLogP of 79.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;methanol is sourced from PubChem (CID 173309675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).