bis(4-tert-butylphenol);zirconium

C20H28O2Zr — CID 87864994

IUPACbis(4-tert-butylphenol);zirconium
SMILESCC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccc(O)cc1.[Zr]
InChIInChI=1S/2C10H14O.Zr/c2*1-10(2,3)8-4-6-9(11)7-5-8;/h2*4-7,11H,1-3H3;
InChIKeyWRBKUTMQURKKRZ-UHFFFAOYSA-N
MW391.67 g/mol
LogP5.38
Rot. Bonds

About bis(4-tert-butylphenol);zirconium

bis(4-tert-butylphenol);zirconium (PubChem CID 87864994) has the molecular formula C20H28O2Zr and a molecular weight of 391.67 g/mol. Its IUPAC name is bis(4-tert-butylphenol);zirconium.

Molecular Properties

Compound Namebis(4-tert-butylphenol);zirconium
PubChem CID87864994
Molecular FormulaC20H28O2Zr
Molecular Weight391.67 g/mol
Exact Mass390.11
IUPAC Namebis(4-tert-butylphenol);zirconium
SMILESCC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccc(O)cc1.[Zr]
InChIInChI=1S/2C10H14O.Zr/c2*1-10(2,3)8-4-6-9(11)7-5-8;/h2*4-7,11H,1-3H3;
InChIKeyWRBKUTMQURKKRZ-UHFFFAOYSA-N
XLogP5.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.67
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[4-(4-tert-butylphenoxy)phenoxy]phenol
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disodium bisphenol-A
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1-(4-hydroxyphenyl)ethane-1,1-diol
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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
disodium;hydride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
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4-(2-sulfanylpropan-2-yl)phenol
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Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenol);zirconium?
The IUPAC name of bis(4-tert-butylphenol);zirconium (CID 87864994) is bis(4-tert-butylphenol);zirconium.
What is the SMILES notation for bis(4-tert-butylphenol);zirconium?
The canonical SMILES for bis(4-tert-butylphenol);zirconium is CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccc(O)cc1.[Zr].
What is the InChIKey of bis(4-tert-butylphenol);zirconium?
The InChIKey is WRBKUTMQURKKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14O.Zr/c2*1-10(2,3)8-4-6-9(11)7-5-8;/h2*4-7,11H,1-3H3;.
What are the key properties of bis(4-tert-butylphenol);zirconium?
bis(4-tert-butylphenol);zirconium has a molecular weight of 391.67 g/mol, XLogP of 5.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylphenol);zirconium is sourced from PubChem (CID 87864994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).