zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)

C10H14O2Zn — CID 162244199

IUPACzinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)
SMILESCc1ccc(C(C)C)c(O)c1.[O-2].[Zn+2]
InChIInChI=1S/C10H14O.O.Zn/c1-7(2)9-5-4-8(3)6-10(9)11;;/h4-7,11H,1-3H3;;/q;-2;+2
InChIKeyUTJBWSPOSKLSMF-UHFFFAOYSA-N
MW231.61 g/mol
LogP2.70
Rot. Bonds1

About zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)

zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-) (PubChem CID 162244199) has the molecular formula C10H14O2Zn and a molecular weight of 231.61 g/mol. Its IUPAC name is zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-).

Molecular Properties

Compound Namezinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)
PubChem CID162244199
Molecular FormulaC10H14O2Zn
Molecular Weight231.61 g/mol
Exact Mass230.03
IUPAC Namezinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)
SMILESCc1ccc(C(C)C)c(O)c1.[O-2].[Zn+2]
InChIInChI=1S/C10H14O.O.Zn/c1-7(2)9-5-4-8(3)6-10(9)11;;/h4-7,11H,1-3H3;;/q;-2;+2
InChIKeyUTJBWSPOSKLSMF-UHFFFAOYSA-N
XLogP2.70
TPSA48.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.61
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 68551781
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2-(1-amino-2-methylpropyl)-5-methylphenol
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5-methyl-2-pentan-3-ylphenol
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Frequently Asked Questions

What is the IUPAC name of zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)?
The IUPAC name of zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-) (CID 162244199) is zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-).
What is the SMILES notation for zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)?
The canonical SMILES for zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-) is Cc1ccc(C(C)C)c(O)c1.[O-2].[Zn+2].
What is the InChIKey of zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)?
The InChIKey is UTJBWSPOSKLSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.O.Zn/c1-7(2)9-5-4-8(3)6-10(9)11;;/h4-7,11H,1-3H3;;/q;-2;+2.
What are the key properties of zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)?
zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-) has a molecular weight of 231.61 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-) is sourced from PubChem (CID 162244199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).