benzene;methanol;hydrochloride

C7H11ClO — CID 70212291

IUPACbenzene;methanol;hydrochloride
SMILESCO.Cl.c1ccccc1
InChIInChI=1S/C6H6.CH4O.ClH/c1-2-4-6-5-3-1;1-2;/h1-6H;2H,1H3;1H
InChIKeyXXVAQXSNEZPOIO-UHFFFAOYSA-N
MW146.62 g/mol
LogP1.72
Rot. Bonds

About benzene;methanol;hydrochloride

benzene;methanol;hydrochloride (PubChem CID 70212291) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is benzene;methanol;hydrochloride.

Molecular Properties

Compound Namebenzene;methanol;hydrochloride
PubChem CID70212291
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Namebenzene;methanol;hydrochloride
SMILESCO.Cl.c1ccccc1
InChIInChI=1S/C6H6.CH4O.ClH/c1-2-4-6-5-3-1;1-2;/h1-6H;2H,1H3;1H
InChIKeyXXVAQXSNEZPOIO-UHFFFAOYSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;methanol;hydrochloride?
The IUPAC name of benzene;methanol;hydrochloride (CID 70212291) is benzene;methanol;hydrochloride.
What is the SMILES notation for benzene;methanol;hydrochloride?
The canonical SMILES for benzene;methanol;hydrochloride is CO.Cl.c1ccccc1.
What is the InChIKey of benzene;methanol;hydrochloride?
The InChIKey is XXVAQXSNEZPOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CH4O.ClH/c1-2-4-6-5-3-1;1-2;/h1-6H;2H,1H3;1H.
What are the key properties of benzene;methanol;hydrochloride?
benzene;methanol;hydrochloride has a molecular weight of 146.62 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methanol;hydrochloride is sourced from PubChem (CID 70212291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).