benzene;2,6-ditert-butyl-4-phenylphenol

C26H32O — CID 175516792

IUPACbenzene;2,6-ditert-butyl-4-phenylphenol
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(C(C)(C)C)c1O.c1ccccc1
InChIInChI=1S/C20H26O.C6H6/c1-19(2,3)16-12-15(14-10-8-7-9-11-14)13-17(18(16)21)20(4,5)6;1-2-4-6-5-3-1/h7-13,21H,1-6H3;1-6H
InChIKeyCLGOCPAMKPPLHN-UHFFFAOYSA-N
MW360.54 g/mol
LogP7.34
Rot. Bonds1

About benzene;2,6-ditert-butyl-4-phenylphenol

benzene;2,6-ditert-butyl-4-phenylphenol (PubChem CID 175516792) has the molecular formula C26H32O and a molecular weight of 360.54 g/mol. Its IUPAC name is benzene;2,6-ditert-butyl-4-phenylphenol.

Molecular Properties

Compound Namebenzene;2,6-ditert-butyl-4-phenylphenol
PubChem CID175516792
Molecular FormulaC26H32O
Molecular Weight360.54 g/mol
Exact Mass360.25
IUPAC Namebenzene;2,6-ditert-butyl-4-phenylphenol
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(C(C)(C)C)c1O.c1ccccc1
InChIInChI=1S/C20H26O.C6H6/c1-19(2,3)16-12-15(14-10-8-7-9-11-14)13-17(18(16)21)20(4,5)6;1-2-4-6-5-3-1/h7-13,21H,1-6H3;1-6H
InChIKeyCLGOCPAMKPPLHN-UHFFFAOYSA-N
XLogP7.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde
CID 15531554
2-tert-butyl-4-methyl-6-phenylphenol
CID 14315744
2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol
CID 136594086
2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol
CID 100914371
2,6-ditert-butyl-4-(2-phenyl-1-benzofuran-3-yl)phenol
CID 12618650
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
3,6-ditert-butyl-2-phenylphenol
CID 88520586
4-[3,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)-4-methylphenyl]-2,6-ditert-butylphenol
CID 141055802
4-(4-anilinoanilino)-2,6-ditert-butylphenol
CID 14649918
2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol
CID 91693696
2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol
CID 2129750

Frequently Asked Questions

What is the IUPAC name of benzene;2,6-ditert-butyl-4-phenylphenol?
The IUPAC name of benzene;2,6-ditert-butyl-4-phenylphenol (CID 175516792) is benzene;2,6-ditert-butyl-4-phenylphenol.
What is the SMILES notation for benzene;2,6-ditert-butyl-4-phenylphenol?
The canonical SMILES for benzene;2,6-ditert-butyl-4-phenylphenol is CC(C)(C)c1cc(-c2ccccc2)cc(C(C)(C)C)c1O.c1ccccc1.
What is the InChIKey of benzene;2,6-ditert-butyl-4-phenylphenol?
The InChIKey is CLGOCPAMKPPLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O.C6H6/c1-19(2,3)16-12-15(14-10-8-7-9-11-14)13-17(18(16)21)20(4,5)6;1-2-4-6-5-3-1/h7-13,21H,1-6H3;1-6H.
What are the key properties of benzene;2,6-ditert-butyl-4-phenylphenol?
benzene;2,6-ditert-butyl-4-phenylphenol has a molecular weight of 360.54 g/mol, XLogP of 7.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,6-ditert-butyl-4-phenylphenol is sourced from PubChem (CID 175516792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).