toluene;dihydrochloride

C14H18Cl2 — CID 66712893

IUPACtoluene;dihydrochloride
SMILESCc1ccccc1.Cc1ccccc1.Cl.Cl
InChIInChI=1S/2C7H8.2ClH/c2*1-7-5-3-2-4-6-7;;/h2*2-6H,1H3;2*1H
InChIKeyGSGOKDWHJZNHKP-UHFFFAOYSA-N
MW257.20 g/mol
LogP4.83
Rot. Bonds

About toluene;dihydrochloride

toluene;dihydrochloride (PubChem CID 66712893) has the molecular formula C14H18Cl2 and a molecular weight of 257.20 g/mol. Its IUPAC name is toluene;dihydrochloride.

Molecular Properties

Compound Nametoluene;dihydrochloride
PubChem CID66712893
Molecular FormulaC14H18Cl2
Molecular Weight257.20 g/mol
Exact Mass256.08
IUPAC Nametoluene;dihydrochloride
SMILESCc1ccccc1.Cc1ccccc1.Cl.Cl
InChIInChI=1S/2C7H8.2ClH/c2*1-7-5-3-2-4-6-7;;/h2*2-6H,1H3;2*1H
InChIKeyGSGOKDWHJZNHKP-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of toluene;dihydrochloride?
The IUPAC name of toluene;dihydrochloride (CID 66712893) is toluene;dihydrochloride.
What is the SMILES notation for toluene;dihydrochloride?
The canonical SMILES for toluene;dihydrochloride is Cc1ccccc1.Cc1ccccc1.Cl.Cl.
What is the InChIKey of toluene;dihydrochloride?
The InChIKey is GSGOKDWHJZNHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8.2ClH/c2*1-7-5-3-2-4-6-7;;/h2*2-6H,1H3;2*1H.
What are the key properties of toluene;dihydrochloride?
toluene;dihydrochloride has a molecular weight of 257.20 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for toluene;dihydrochloride is sourced from PubChem (CID 66712893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).