bis(2-tert-butyl-4-ethylphenol);methane

C25H40O2 — CID 174954816

IUPACbis(2-tert-butyl-4-ethylphenol);methane
SMILESC.CCc1ccc(O)c(C(C)(C)C)c1.CCc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/2C12H18O.CH4/c2*1-5-9-6-7-11(13)10(8-9)12(2,3)4;/h2*6-8,13H,5H2,1-4H3;1H4
InChIKeySCWANUGLHKZJIC-UHFFFAOYSA-N
MW372.59 g/mol
LogP7.14
Rot. Bonds2

About bis(2-tert-butyl-4-ethylphenol);methane

bis(2-tert-butyl-4-ethylphenol);methane (PubChem CID 174954816) has the molecular formula C25H40O2 and a molecular weight of 372.59 g/mol. Its IUPAC name is bis(2-tert-butyl-4-ethylphenol);methane.

Molecular Properties

Compound Namebis(2-tert-butyl-4-ethylphenol);methane
PubChem CID174954816
Molecular FormulaC25H40O2
Molecular Weight372.59 g/mol
Exact Mass372.30
IUPAC Namebis(2-tert-butyl-4-ethylphenol);methane
SMILESC.CCc1ccc(O)c(C(C)(C)C)c1.CCc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/2C12H18O.CH4/c2*1-5-9-6-7-11(13)10(8-9)12(2,3)4;/h2*6-8,13H,5H2,1-4H3;1H4
InChIKeySCWANUGLHKZJIC-UHFFFAOYSA-N
XLogP7.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.59
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-tert-butyl-4-(dipropoxyphosphorylmethyl)phenol
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4-(3-tert-butyl-4-hydroxyphenyl)butanoic acid
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benzyl-[(3-tert-butyl-4-hydroxyphenyl)methyl]-methylsulfanium
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4-[[3,5-bis[(4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butylphenol
CID 152642157

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-4-ethylphenol);methane?
The IUPAC name of bis(2-tert-butyl-4-ethylphenol);methane (CID 174954816) is bis(2-tert-butyl-4-ethylphenol);methane.
What is the SMILES notation for bis(2-tert-butyl-4-ethylphenol);methane?
The canonical SMILES for bis(2-tert-butyl-4-ethylphenol);methane is C.CCc1ccc(O)c(C(C)(C)C)c1.CCc1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of bis(2-tert-butyl-4-ethylphenol);methane?
The InChIKey is SCWANUGLHKZJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18O.CH4/c2*1-5-9-6-7-11(13)10(8-9)12(2,3)4;/h2*6-8,13H,5H2,1-4H3;1H4.
What are the key properties of bis(2-tert-butyl-4-ethylphenol);methane?
bis(2-tert-butyl-4-ethylphenol);methane has a molecular weight of 372.59 g/mol, XLogP of 7.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butyl-4-ethylphenol);methane is sourced from PubChem (CID 174954816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).