ethanol;toluene;trihydrochloride

C9H17Cl3O — CID 175328160

IUPACethanol;toluene;trihydrochloride
SMILESCCO.Cc1ccccc1.Cl.Cl.Cl
InChIInChI=1S/C7H8.C2H6O.3ClH/c1-7-5-3-2-4-6-7;1-2-3;;;/h2-6H,1H3;3H,2H2,1H3;3*1H
InChIKeyPJARGDCVEDTZOV-UHFFFAOYSA-N
MW247.59 g/mol
LogP3.26
Rot. Bonds

About ethanol;toluene;trihydrochloride

ethanol;toluene;trihydrochloride (PubChem CID 175328160) has the molecular formula C9H17Cl3O and a molecular weight of 247.59 g/mol. Its IUPAC name is ethanol;toluene;trihydrochloride.

Molecular Properties

Compound Nameethanol;toluene;trihydrochloride
PubChem CID175328160
Molecular FormulaC9H17Cl3O
Molecular Weight247.59 g/mol
Exact Mass246.03
IUPAC Nameethanol;toluene;trihydrochloride
SMILESCCO.Cc1ccccc1.Cl.Cl.Cl
InChIInChI=1S/C7H8.C2H6O.3ClH/c1-7-5-3-2-4-6-7;1-2-3;;;/h2-6H,1H3;3H,2H2,1H3;3*1H
InChIKeyPJARGDCVEDTZOV-UHFFFAOYSA-N
XLogP3.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.59
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethanol;toluene;trihydrochloride?
The IUPAC name of ethanol;toluene;trihydrochloride (CID 175328160) is ethanol;toluene;trihydrochloride.
What is the SMILES notation for ethanol;toluene;trihydrochloride?
The canonical SMILES for ethanol;toluene;trihydrochloride is CCO.Cc1ccccc1.Cl.Cl.Cl.
What is the InChIKey of ethanol;toluene;trihydrochloride?
The InChIKey is PJARGDCVEDTZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C2H6O.3ClH/c1-7-5-3-2-4-6-7;1-2-3;;;/h2-6H,1H3;3H,2H2,1H3;3*1H.
What are the key properties of ethanol;toluene;trihydrochloride?
ethanol;toluene;trihydrochloride has a molecular weight of 247.59 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;toluene;trihydrochloride is sourced from PubChem (CID 175328160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).