4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane

C21H30O — CID 143086936

IUPAC4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane
SMILESCC(C)(C)c1ccc(Cc2ccc(O)cc2)cc1.CC(C)C
InChIInChI=1S/C17H20O.C4H10/c1-17(2,3)15-8-4-13(5-9-15)12-14-6-10-16(18)11-7-14;1-4(2)3/h4-11,18H,12H2,1-3H3;4H,1-3H3
InChIKeyZMCDBJNRTKMRLC-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.94
Rot. Bonds2

About 4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane

4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane (PubChem CID 143086936) has the molecular formula C21H30O and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane
PubChem CID143086936
Molecular FormulaC21H30O
Molecular Weight298.47 g/mol
Exact Mass298.23
IUPAC Name4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane
SMILESCC(C)(C)c1ccc(Cc2ccc(O)cc2)cc1.CC(C)C
InChIInChI=1S/C17H20O.C4H10/c1-17(2,3)15-8-4-13(5-9-15)12-14-6-10-16(18)11-7-14;1-4(2)3/h4-11,18H,12H2,1-3H3;4H,1-3H3
InChIKeyZMCDBJNRTKMRLC-UHFFFAOYSA-N
XLogP5.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
CID 144989068
4-tert-butylphenol;nickel
CID 162056786
4-tert-butylphenol;cobalt
CID 174380967
bis(4-tert-butylphenol);zirconium
CID 87864994
4-tert-butylphenol;titanium
CID 20801499
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylpropane)
CID 143736977
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
1-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentadeuteriobenzene
CID 132540823
5-tert-butylbenzene-1,2,3-triol;4-tert-butylphenol;2,2-dimethylpropane;methane;2-methylpropane
CID 160923004
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol
CID 67724920

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane?
The IUPAC name of 4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane (CID 143086936) is 4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane.
What is the SMILES notation for 4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane?
The canonical SMILES for 4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane is CC(C)(C)c1ccc(Cc2ccc(O)cc2)cc1.CC(C)C.
What is the InChIKey of 4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane?
The InChIKey is ZMCDBJNRTKMRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O.C4H10/c1-17(2,3)15-8-4-13(5-9-15)12-14-6-10-16(18)11-7-14;1-4(2)3/h4-11,18H,12H2,1-3H3;4H,1-3H3.
What are the key properties of 4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane?
4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane has a molecular weight of 298.47 g/mol, XLogP of 5.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane is sourced from PubChem (CID 143086936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).