2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol

C23H32O2 — CID 139625941

IUPAC2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1
InChIInChI=1S/C23H32O2/c1-14-9-15(2)20(24)16(10-14)11-17-12-18(22(3,4)5)13-19(21(17)25)23(6,7)8/h9-10,12-13,24-25H,11H2,1-8H3
InChIKeyZSMRPVPUNWZJTN-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.90
Rot. Bonds2

About 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol

2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol (PubChem CID 139625941) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol
PubChem CID139625941
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1
InChIInChI=1S/C23H32O2/c1-14-9-15(2)20(24)16(10-14)11-17-12-18(22(3,4)5)13-19(21(17)25)23(6,7)8/h9-10,12-13,24-25H,11H2,1-8H3
InChIKeyZSMRPVPUNWZJTN-UHFFFAOYSA-N
XLogP5.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 19352850
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;ethane-1,2-diol
CID 88830075
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
trisodium;2,4-ditert-butyl-6-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenol;phosphate
CID 159744208
2-tert-butyl-6-[(4-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 19706004
2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
CID 3480834
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol
CID 11792333
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 10894744
acetonitrile;2-[[3,5-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-4,6-ditert-butylphenol
CID 139127127
2-tert-butyl-6-[(3,5-didodecyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 139625942

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol?
The IUPAC name of 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol (CID 139625941) is 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1.
What is the InChIKey of 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol?
The InChIKey is ZSMRPVPUNWZJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-14-9-15(2)20(24)16(10-14)11-17-12-18(22(3,4)5)13-19(21(17)25)23(6,7)8/h9-10,12-13,24-25H,11H2,1-8H3.
What are the key properties of 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol?
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol has a molecular weight of 340.51 g/mol, XLogP of 5.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol is sourced from PubChem (CID 139625941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).