zinc 2-methylphenol

C7H8OZn+2 — CID 10374903

IUPACzinc 2-methylphenol
SMILESCc1ccccc1O.[Zn+2]
InChIInChI=1S/C7H8O.Zn/c1-6-4-2-3-5-7(6)8;/h2-5,8H,1H3;/q;+2
InChIKeyCIGVXDAHSHSSBG-UHFFFAOYSA-N
MW173.53 g/mol
LogP1.70
Rot. Bonds

About zinc 2-methylphenol

zinc 2-methylphenol (PubChem CID 10374903) has the molecular formula C7H8OZn+2 and a molecular weight of 173.53 g/mol. Its IUPAC name is zinc 2-methylphenol.

Molecular Properties

Compound Namezinc 2-methylphenol
PubChem CID10374903
Molecular FormulaC7H8OZn+2
Molecular Weight173.53 g/mol
Exact Mass171.99
IUPAC Namezinc 2-methylphenol
SMILESCc1ccccc1O.[Zn+2]
InChIInChI=1S/C7H8O.Zn/c1-6-4-2-3-5-7(6)8;/h2-5,8H,1H3;/q;+2
InChIKeyCIGVXDAHSHSSBG-UHFFFAOYSA-N
XLogP1.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.53
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc 2-methylphenol?
The IUPAC name of zinc 2-methylphenol (CID 10374903) is zinc 2-methylphenol.
What is the SMILES notation for zinc 2-methylphenol?
The canonical SMILES for zinc 2-methylphenol is Cc1ccccc1O.[Zn+2].
What is the InChIKey of zinc 2-methylphenol?
The InChIKey is CIGVXDAHSHSSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.Zn/c1-6-4-2-3-5-7(6)8;/h2-5,8H,1H3;/q;+2.
What are the key properties of zinc 2-methylphenol?
zinc 2-methylphenol has a molecular weight of 173.53 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 2-methylphenol is sourced from PubChem (CID 10374903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).