4-tert-butylphenol;nickel

C10H14NiO — CID 162056786

IUPAC4-tert-butylphenol;nickel
SMILESCC(C)(C)c1ccc(O)cc1.[Ni]
InChIInChI=1S/C10H14O.Ni/c1-10(2,3)8-4-6-9(11)7-5-8;/h4-7,11H,1-3H3;
InChIKeyYZHGIGHTMGYOOC-UHFFFAOYSA-N
MW208.91 g/mol
LogP2.69
Rot. Bonds

About 4-tert-butylphenol;nickel

4-tert-butylphenol;nickel (PubChem CID 162056786) has the molecular formula C10H14NiO and a molecular weight of 208.91 g/mol. Its IUPAC name is 4-tert-butylphenol;nickel.

Molecular Properties

Compound Name4-tert-butylphenol;nickel
PubChem CID162056786
Molecular FormulaC10H14NiO
Molecular Weight208.91 g/mol
Exact Mass208.04
IUPAC Name4-tert-butylphenol;nickel
SMILESCC(C)(C)c1ccc(O)cc1.[Ni]
InChIInChI=1S/C10H14O.Ni/c1-10(2,3)8-4-6-9(11)7-5-8;/h4-7,11H,1-3H3;
InChIKeyYZHGIGHTMGYOOC-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.91
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-[4-(4-tert-butylphenoxy)phenoxy]phenol
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4-(N-amino-4-tert-butylanilino)phenol
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carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
CID 20695639
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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylphenol;nickel?
The IUPAC name of 4-tert-butylphenol;nickel (CID 162056786) is 4-tert-butylphenol;nickel.
What is the SMILES notation for 4-tert-butylphenol;nickel?
The canonical SMILES for 4-tert-butylphenol;nickel is CC(C)(C)c1ccc(O)cc1.[Ni].
What is the InChIKey of 4-tert-butylphenol;nickel?
The InChIKey is YZHGIGHTMGYOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.Ni/c1-10(2,3)8-4-6-9(11)7-5-8;/h4-7,11H,1-3H3;.
What are the key properties of 4-tert-butylphenol;nickel?
4-tert-butylphenol;nickel has a molecular weight of 208.91 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylphenol;nickel is sourced from PubChem (CID 162056786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).